data_2crn_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 2crn _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 ' 12' ' ' LEU . . . . . 0.415 ' HB3' ' CD2' ' A' ' 30' ' ' LEU . 3.6 mm? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.832 0.348 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 17' ' ' LEU . 4.6 mm? -73.46 -32.03 64.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.508 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 10.4 mt-10 -42.44 -58.69 3.39 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.642 0.734 . . . . 0.0 110.84 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.1 Cg_endo -69.73 -39.55 6.44 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.8 mt -72.76 -13.76 61.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 13' ' ' LEU . 72.7 mt -95.95 -45.5 6.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.64 -22.04 66.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.5 mmm -74.43 -24.98 59.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.61 -27.99 4.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -64.08 140.76 97.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.636 0.732 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -163.76 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.32 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.412 ' CG1' ' CD1' ' A' ' 27' ' ' LEU . 17.3 t -88.46 -57.52 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.41 -37.9 27.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.46 ' CG2' HD22 ' A' ' 45' ' ' LEU . 91.3 m -74.9 -56.99 4.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.86 -33.01 22.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.412 ' CD1' ' CG1' ' A' ' 23' ' ' VAL . 12.1 mt -69.88 -42.91 72.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -57.84 -50.74 72.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.04 88.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.459 ' CD1' HD23 ' A' ' 13' ' ' LEU . 22.9 mt -62.83 -58.08 8.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.82 -28.48 66.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.76 -48.46 31.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.0 p -73.35 -26.47 61.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.44 34.64 4.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 41.36 44.35 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -80.96 -47.3 13.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 t -171.35 155.09 4.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.43 ' HB3' ' CG ' ' A' ' 15' ' ' PRO . . . -50.59 -49.37 56.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -50.93 -49.6 59.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -47.4 -48.59 26.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.16 -43.17 66.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.04 -38.91 84.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.01 -28.92 69.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 39.8 t90 -85.05 -29.32 25.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.46 HD22 ' CG2' ' A' ' 25' ' ' THR . 55.6 mt -77.92 -37.92 46.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.918 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.5 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.874 0.368 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.2 mm? -85.51 -26.42 26.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.508 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 2.9 mm-40 -42.26 -58.84 3.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.602 0.715 . . . . 0.0 110.846 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.0 Cg_endo -69.77 -39.61 6.28 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.3 mt -72.79 -13.38 61.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LEU . 73.0 mt -96.76 -48.09 5.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.73 -20.21 65.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.7 mmm -76.24 -25.31 54.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.89 -34.65 2.52 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.521 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -62.27 139.81 96.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.643 0.735 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -163.76 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.442 HG11 ' CD1' ' A' ' 27' ' ' LEU . 15.9 t -87.05 -58.03 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.43 -38.54 29.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.439 HG22 ' CD2' ' A' ' 45' ' ' LEU . 86.4 m -74.04 -55.88 5.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.32 -34.42 33.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.442 ' CD1' HG11 ' A' ' 23' ' ' VAL . 9.3 mt -69.68 -38.51 77.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -58.42 -53.8 54.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.569 ' CB ' ' CE3' ' A' ' 44' ' ' TRP . . . -59.47 -41.38 89.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.6 mt -61.3 -55.28 33.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.46 -34.87 73.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.63 -58.69 3.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.9 p -56.33 -54.38 46.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 137.76 39.81 0.12 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.451 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 34' ' ' GLY . 1.1 mpp_? 37.13 41.57 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.859 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -81.82 -67.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.457 ' CG2' ' CD ' ' A' ' 40' ' ' GLU . 9.9 t -156.59 170.68 21.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.141 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.413 ' HB3' ' CG ' ' A' ' 15' ' ' PRO . . . -57.85 -57.83 11.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.075 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -42.07 -58.53 2.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.457 ' CD ' ' CG2' ' A' ' 37' ' ' THR . 0.5 OUTLIER -42.95 -39.42 2.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.33 -39.61 81.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -59.3 -36.01 74.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.34 -25.84 65.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.079 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.569 ' CE3' ' CB ' ' A' ' 29' ' ' ALA . 59.2 t90 -90.48 -25.29 20.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.439 ' CD2' HG22 ' A' ' 25' ' ' THR . 9.4 mt -80.94 -30.72 35.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.837 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.4 ' CD1' HD22 ' A' ' 30' ' ' LEU . 11.7 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.809 0.338 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 17' ' ' LEU . 4.2 mm? -72.63 -34.06 67.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.5 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 3.3 mm-40 -42.95 -58.82 3.56 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.614 0.721 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.4 Cg_endo -69.76 -39.49 6.44 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.646 2.231 . . . . 0.0 112.348 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.7 mt -72.62 -14.11 61.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 13' ' ' LEU . 69.0 mt -95.7 -46.04 6.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.74 -19.98 65.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.2 mmt -76.57 -24.89 53.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.9 -25.82 5.2 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.464 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -66.79 139.62 95.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.623 0.725 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -163.76 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.434 ' CG1' HD13 ' A' ' 27' ' ' LEU . 26.2 t -87.7 -56.86 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -50.34 -35.58 28.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.467 ' CG2' HD23 ' A' ' 45' ' ' LEU . 99.5 m -75.48 -56.88 4.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.455 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . . . -51.76 -35.34 43.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.434 HD13 ' CG1' ' A' ' 23' ' ' VAL . 13.9 mt -67.19 -42.42 84.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -57.82 -50.12 74.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.464 ' HA ' ' CE3' ' A' ' 44' ' ' TRP . . . -62.92 -41.99 99.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.4 HD22 ' CD1' ' A' ' 12' ' ' LEU . 19.7 mt -57.73 -58.2 9.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.39 -36.74 78.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.3 -52.51 61.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.3 p -67.53 -51.49 50.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 130.91 35.8 0.38 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 34' ' ' GLY . 6.0 mtt-85 35.94 41.51 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.913 0.387 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -83.39 -63.69 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.8 t -143.35 149.27 37.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.15 -42.98 51.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' LEU . 20.9 tt0 -56.43 -53.91 51.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 39' ' ' GLU . 2.2 mm-40 -37.24 -48.43 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.06 -44.25 70.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.7 mm? -60.06 -35.67 75.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.23 -27.12 64.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.464 ' CE3' ' HA ' ' A' ' 29' ' ' ALA . 73.1 t90 -86.79 -29.02 22.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.467 HD23 ' CG2' ' A' ' 25' ' ' THR . 45.7 mt -77.79 -37.34 49.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.863 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.468 ' CD2' HD22 ' A' ' 30' ' ' LEU . 10.0 mp . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.803 0.335 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.7 mm? -82.6 -27.81 31.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.513 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 6.0 mt-10 -42.09 -58.75 3.13 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.677 0.751 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.1 Cg_endo -69.79 -39.52 6.36 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.41 ' CD2' ' CD2' ' A' ' 42' ' ' LEU . 86.4 mt -72.94 -13.22 61.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . 74.9 mt -97.1 -48.26 5.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.93 -19.38 64.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.8 mmm -76.1 -25.05 55.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.13 -29.87 3.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -63.54 139.97 97.69 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.645 0.736 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -163.79 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.722 2.281 . . . . 0.0 112.311 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.431 ' CG1' HD13 ' A' ' 27' ' ' LEU . 22.9 t -87.62 -56.56 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -50.8 -36.31 36.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.456 HG21 ' CD2' ' A' ' 45' ' ' LEU . 89.2 m -76.05 -55.77 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.47 -33.48 44.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.431 HD13 ' CG1' ' A' ' 23' ' ' VAL . 13.3 mt -69.31 -45.48 69.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -55.42 -50.22 70.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.87 92.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.468 HD22 ' CD2' ' A' ' 12' ' ' LEU . 54.2 mt -62.36 -56.13 21.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.71 -33.54 75.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.054 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.2 -49.55 66.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.3 p -68.23 -53.59 23.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.149 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 136.45 37.6 0.17 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 39.27 37.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.878 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -79.64 -63.37 1.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.9 t -156.72 154.3 29.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.33 -56.04 7.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -39.15 -60.05 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -40.9 -47.05 2.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.69 -44.69 69.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.055 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.41 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 3.9 mm? -58.97 -39.27 81.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.48 -25.63 68.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.4 t90 -91.06 -31.08 16.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.456 ' CD2' HG21 ' A' ' 25' ' ' THR . 31.3 mt -72.3 -39.03 68.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.88 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.9 0.381 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.504 ' N ' ' CD2' ' A' ' 13' ' ' LEU . 1.1 mm? -83.93 -28.82 27.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.516 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 14.5 mm-40 -41.78 -58.6 3.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.611 0.719 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.4 Cg_endo -69.77 -39.63 6.25 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.7 2.266 . . . . 0.0 112.294 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.6 mt -72.95 -13.01 61.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 13' ' ' LEU . 77.7 mt -97.38 -48.13 5.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.0 -18.58 63.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.0 mmm -77.09 -25.62 52.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.77 -31.36 3.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -64.39 139.94 97.84 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -163.81 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.709 2.273 . . . . 0.0 112.367 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.419 ' CG1' ' CD1' ' A' ' 27' ' ' LEU . 18.2 t -87.32 -56.58 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -50.83 -36.77 39.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.469 ' CG2' HD22 ' A' ' 45' ' ' LEU . 88.8 m -75.58 -55.69 5.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.64 -32.82 43.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.419 ' CD1' ' CG1' ' A' ' 23' ' ' VAL . 12.1 mt -70.05 -44.51 69.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -55.84 -50.45 70.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.81 95.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 58.5 mt -60.92 -55.97 26.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.16 -34.8 72.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.103 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.73 -60.64 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.08 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.6 p -56.42 -50.33 71.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 133.1 41.38 0.18 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' GLY . 59.4 mtm180 35.81 44.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.854 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -86.74 -60.72 1.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.416 HG21 ' CD ' ' A' ' 40' ' ' GLU . 6.5 t -157.75 179.62 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.467 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -70.91 -50.68 32.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -46.62 -58.2 4.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.416 ' CD ' HG21 ' A' ' 37' ' ' THR . 0.5 OUTLIER -41.21 -43.56 2.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.54 -42.71 99.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.094 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.404 ' N ' HD21 ' A' ' 42' ' ' LEU . 3.4 mm? -56.49 -36.04 68.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.39 -28.98 66.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 58.8 t90 -84.51 -25.83 28.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.469 HD22 ' CG2' ' A' ' 25' ' ' THR . 28.6 mt -83.3 -34.34 25.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.839 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' LEU . 2.7 mm? -72.16 -31.59 66.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.51 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 9.3 mt-10 -42.63 -58.82 3.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.682 0.753 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.4 Cg_endo -69.78 -39.56 6.33 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.266 . . . . 0.0 112.326 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.442 ' CD1' ' HG ' ' A' ' 30' ' ' LEU . 80.9 mt -72.69 -13.74 61.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LEU . 70.7 mt -96.19 -46.28 6.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.43 -21.14 66.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.7 mmm -75.64 -27.45 58.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.14 -26.56 3.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.524 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -67.89 139.07 93.06 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.665 0.745 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -163.8 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.43 ' CG1' HD13 ' A' ' 27' ' ' LEU . 25.4 t -88.06 -58.74 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.21 -36.88 14.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.47 HG21 ' CD2' ' A' ' 45' ' ' LEU . 95.4 m -74.53 -58.66 3.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HB1' ' CD1' ' A' ' 13' ' ' LEU . . . -49.01 -36.92 18.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.43 HD13 ' CG1' ' A' ' 23' ' ' VAL . 10.8 mt -65.87 -46.35 78.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -57.12 -50.01 74.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.56 ' CB ' ' CE3' ' A' ' 44' ' ' TRP . . . -64.12 -41.21 97.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.442 ' HG ' ' CD1' ' A' ' 16' ' ' LEU . 17.9 mt -59.82 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.42 -30.22 18.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.067 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.49 -43.98 75.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 35' ' ' ARG . 22.3 p -96.78 53.46 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 44.55 20.7 0.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' GLY . 6.0 ptt180 34.51 46.7 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 0.0 110.829 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -75.41 -59.4 2.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.413 HG23 ' CD ' ' A' ' 40' ' ' GLU . 14.6 t -147.26 159.18 43.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.409 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -49.2 -53.32 21.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -40.91 -60.55 1.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.413 ' CD ' HG23 ' A' ' 37' ' ' THR . 0.4 OUTLIER -43.0 -47.39 5.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.33 -46.22 76.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.44 -40.25 71.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.16 -23.67 67.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.56 ' CE3' ' CB ' ' A' ' 29' ' ' ALA . 57.7 t90 -91.52 -30.01 16.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.47 ' CD2' HG21 ' A' ' 25' ' ' THR . 27.5 mt -73.59 -37.71 65.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 179.867 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.443 HD21 ' CD2' ' A' ' 30' ' ' LEU . 10.3 mp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.805 0.336 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 17' ' ' LEU . 2.5 mm? -83.86 -28.43 28.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.51 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 3.8 mm-40 -42.3 -58.79 3.22 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.696 0.76 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.8 Cg_endo -69.82 -39.35 6.49 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.526 ' CD2' ' CD2' ' A' ' 42' ' ' LEU . 82.1 mt -72.96 -13.46 61.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' LEU . 73.6 mt -96.72 -46.67 6.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.28 -23.66 67.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.2 mmm -72.26 -25.71 61.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.83 -33.01 2.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.15 140.13 94.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.701 0.763 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -163.74 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.262 . . . . 0.0 112.329 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.444 ' CG1' HD12 ' A' ' 27' ' ' LEU . 17.4 t -87.43 -56.38 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -50.98 -37.3 43.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.465 HG22 ' CD2' ' A' ' 45' ' ' LEU . 89.2 m -74.83 -55.93 5.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.446 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . . . -52.74 -32.93 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.444 HD12 ' CG1' ' A' ' 23' ' ' VAL . 13.5 mt -70.1 -45.54 66.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -55.29 -50.47 69.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.87 -43.17 90.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.124 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.443 ' CD2' HD21 ' A' ' 12' ' ' LEU . 33.5 mt -63.05 -53.79 48.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.13 -33.34 69.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.486 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . . . -68.78 -58.11 4.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.5 p -57.61 -51.59 68.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.19 34.12 0.21 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.1 mtt85 43.42 44.27 4.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.868 0.365 . . . . 0.0 110.899 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -84.53 -62.44 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.7 t -164.37 162.32 22.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 39' ' ' GLU . . . -45.84 -62.12 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 38' ' ' ALA . 40.8 mt-10 -35.1 -61.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.29 -47.81 6.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.409 ' CB ' HD13 ' A' ' 16' ' ' LEU . . . -55.28 -44.71 75.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.526 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 4.2 mm? -57.36 -40.17 77.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.12 -27.69 69.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.486 ' CD1' ' HB2' ' A' ' 32' ' ' ALA . 46.5 t90 -88.07 -29.29 20.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.465 ' CD2' HG22 ' A' ' 25' ' ' THR . 37.2 mt -74.95 -37.6 61.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.866 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.457 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 4.5 mm? . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.841 0.353 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.1 mm? -102.89 -27.32 12.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.976 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.508 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 3.1 mm-40 -42.59 -58.91 3.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.9 Cg_endo -69.73 -39.54 6.43 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.471 ' CD2' ' CD2' ' A' ' 42' ' ' LEU . 87.4 mt -72.73 -13.75 61.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 13' ' ' LEU . 70.4 mt -96.21 -46.95 6.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.71 -18.6 64.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 22.0 mmm -77.94 -24.84 48.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.08 -34.28 2.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -58.47 139.56 85.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.689 0.757 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.256 . . . . 0.0 112.338 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.462 HG12 ' CD1' ' A' ' 27' ' ' LEU . 17.4 t -89.1 -54.46 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -50.81 -33.63 24.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.463 HG23 ' CD2' ' A' ' 45' ' ' LEU . 49.8 m -78.92 -57.91 3.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.467 ' HB1' ' CD1' ' A' ' 13' ' ' LEU . . . -50.61 -30.9 14.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.462 ' CD1' HG12 ' A' ' 23' ' ' VAL . 15.9 mt -72.34 -42.45 65.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -56.75 -50.49 72.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.415 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -63.02 -44.37 96.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.466 ' CD1' HD22 ' A' ' 13' ' ' LEU . 47.8 mt -57.23 -59.19 5.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.96 -32.92 64.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.9 -63.26 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.7 p -56.01 -71.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 36' ' ' LYS . . . 158.07 35.96 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.409 ' HD3' ' N ' ' A' ' 35' ' ' ARG . 2.1 mpp_? 39.22 30.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -71.26 -59.59 2.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.42 HG22 ' CD ' ' A' ' 40' ' ' GLU . 6.2 t -159.93 179.87 8.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.82 -53.79 19.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -43.77 -58.83 2.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.42 ' CD ' HG22 ' A' ' 37' ' ' THR . 0.5 OUTLIER -47.03 -38.96 11.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.38 -36.19 73.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.471 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 3.7 mm? -62.44 -35.69 80.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.42 -27.51 66.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.472 ' C ' ' CE3' ' A' ' 44' ' ' TRP . 9.0 t90 -87.97 -29.61 20.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 25' ' ' THR . 41.6 mt -75.5 -37.32 60.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.953 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.84 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.823 0.344 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.9 mm? -73.03 -31.67 64.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.509 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 3.4 mm-40 -42.69 -58.83 3.4 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.635 0.731 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.9 Cg_endo -69.79 -39.46 6.42 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.348 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.1 mt -72.68 -13.95 61.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 13' ' ' LEU . 70.3 mt -96.1 -46.79 6.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.46 -19.2 64.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.8 mmm -77.48 -26.75 51.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.2 -27.27 4.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -66.09 140.62 97.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.667 0.746 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -163.74 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.657 2.238 . . . . 0.0 112.332 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.435 HG12 ' CD1' ' A' ' 27' ' ' LEU . 18.9 t -88.95 -57.18 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.49 -37.11 25.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.459 HG21 ' CD2' ' A' ' 45' ' ' LEU . 86.1 m -75.3 -57.3 3.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.95 -32.97 22.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.435 ' CD1' HG12 ' A' ' 23' ' ' VAL . 13.7 mt -69.83 -44.87 69.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm -55.67 -50.37 70.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.37 98.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.7 mt -59.61 -54.59 44.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.38 -33.84 73.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.28 -54.19 19.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 74.0 p -61.66 -47.67 84.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.64 40.2 0.36 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.5 mtt-85 39.75 35.88 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -76.41 -65.84 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.8 t -157.8 167.16 30.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.157 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.459 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -58.77 -55.08 39.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -42.03 -50.88 4.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -50.6 -48.74 57.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.12 -40.4 67.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.64 -39.02 89.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.5 -23.76 66.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 51.7 t90 -91.7 -29.36 16.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.459 ' CD2' HG21 ' A' ' 25' ' ' THR . 21.0 mt -76.17 -37.51 57.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.867 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.467 ' CD2' HD22 ' A' ' 30' ' ' LEU . 10.6 mp . . . . . 0 C--O 1.233 0.184 0 CA-C-O 120.896 0.379 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' LEU . 2.1 mm? -85.68 -29.58 23.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.513 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 12.4 mt-10 -42.76 -58.74 3.53 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.632 0.73 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.9 Cg_endo -69.77 -39.3 6.64 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.231 . . . . 0.0 112.393 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.439 ' CD2' ' CD2' ' A' ' 42' ' ' LEU . 86.2 mt -72.85 -13.88 61.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LEU . 71.9 mt -96.2 -46.19 6.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.23 -21.19 66.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.0 mmm -74.71 -23.87 58.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.79 -27.7 4.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -66.15 139.27 96.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.625 0.726 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -163.71 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.242 . . . . 0.0 112.377 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.462 ' CG1' HD12 ' A' ' 27' ' ' LEU . 24.7 t -88.09 -58.19 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.084 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.91 -31.06 6.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.463 HG22 ' CD2' ' A' ' 45' ' ' LEU . 51.4 m -78.83 -60.33 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.29 -34.51 15.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.117 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.462 HD12 ' CG1' ' A' ' 23' ' ' VAL . 15.0 mt -68.12 -41.87 81.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -59.55 -50.51 73.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.593 ' CB ' ' CE3' ' A' ' 44' ' ' TRP . . . -64.77 -36.96 86.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.086 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.467 HD22 ' CD2' ' A' ' 12' ' ' LEU . 33.0 mt -65.89 -57.95 6.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.68 -26.7 62.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.74 -52.01 9.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.075 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.7 p -62.97 -44.12 96.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.135 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.22 33.42 0.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 65.7 mtt85 38.4 39.88 0.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.8 mttp -82.2 -61.07 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.418 HG23 ' CD ' ' A' ' 40' ' ' GLU . 9.0 t -163.18 147.23 10.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 39' ' ' GLU . . . -37.82 -57.48 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 38' ' ' ALA . 53.6 mt-10 -34.54 -62.84 0.33 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.418 ' CD ' HG23 ' A' ' 37' ' ' THR . 0.5 OUTLIER -42.37 -46.73 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.87 -45.0 78.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.049 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.439 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 4.1 mm? -56.82 -39.43 74.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.05 -20.87 65.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.593 ' CE3' ' CB ' ' A' ' 29' ' ' ALA . 36.1 t90 -95.4 -27.39 15.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.463 ' CD2' HG22 ' A' ' 25' ' ' THR . 9.5 mt -78.49 -33.67 47.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.835 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.42 HD13 ' NH2' ' A' ' 35' ' ' ARG . 15.6 mt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.852 0.358 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.0 mm? -77.92 -29.66 50.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.501 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 6.9 mm-40 -42.17 -58.77 3.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.647 0.737 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.9 Cg_endo -69.77 -39.45 6.47 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.414 ' CD1' ' HG ' ' A' ' 30' ' ' LEU . 91.4 mt -72.87 -13.52 61.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' LEU . 74.6 mt -96.4 -46.51 6.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.77 -19.82 65.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmt -76.25 -24.58 54.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.09 -26.25 5.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.516 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -66.85 140.37 96.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.671 0.748 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.1 t -86.34 -57.84 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -50.0 -34.69 21.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.464 ' CG2' HD22 ' A' ' 45' ' ' LEU . 69.1 m -75.57 -56.4 4.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.31 -35.6 50.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 mt -67.06 -45.95 75.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -56.97 -50.37 72.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.469 ' HA ' ' CE3' ' A' ' 44' ' ' TRP . . . -61.1 -40.29 93.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.414 ' HG ' ' CD1' ' A' ' 16' ' ' LEU . 31.4 mt -62.96 -58.91 5.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.46 -30.82 61.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.7 -53.38 28.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.419 HG21 ' C ' ' A' ' 40' ' ' GLU . 43.7 p -69.99 -23.32 63.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.35 43.43 2.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.42 ' NH2' HD13 ' A' ' 12' ' ' LEU . 64.3 mtp85 38.55 45.37 0.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 110.906 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -79.73 -65.13 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.1 t -152.33 158.96 43.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.64 -42.94 68.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 42' ' ' LEU . 9.6 tp10 -59.59 -52.65 64.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.419 ' C ' HG21 ' A' ' 33' ' ' THR . 2.2 mm-40 -38.65 -44.74 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.401 ' HB3' ' CD2' ' A' ' 16' ' ' LEU . . . -57.69 -41.06 80.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.3 mm? -62.62 -36.27 82.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.49 -25.97 64.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.094 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.469 ' CE3' ' HA ' ' A' ' 29' ' ' ALA . 70.0 t90 -87.32 -29.65 21.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.464 HD22 ' CG2' ' A' ' 25' ' ' THR . 54.7 mt -77.56 -37.93 49.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.863 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.849 0.357 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.4 mm? -80.44 -25.56 38.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.514 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 12.6 mt-10 -43.61 -58.47 4.43 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.703 0.764 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.5 Cg_endo -69.79 -37.52 8.98 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.235 . . . . 0.0 112.327 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.0 mt -74.96 -13.75 60.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 13' ' ' LEU . 74.7 mt -96.78 -47.26 5.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.47 -24.26 67.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.421 ' CG ' ' O ' ' A' ' 15' ' ' PRO . 2.2 mmt -71.53 -26.2 62.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.63 -33.73 2.8 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -60.48 139.17 92.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.671 0.748 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -163.82 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.452 ' CG1' HD13 ' A' ' 27' ' ' LEU . 23.6 t -85.54 -57.11 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.22 -35.68 37.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.467 ' CG2' HD22 ' A' ' 45' ' ' LEU . 99.5 m -75.87 -54.36 7.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.34 -34.04 60.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.452 HD13 ' CG1' ' A' ' 23' ' ' VAL . 12.1 mt -68.73 -42.62 77.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -57.54 -50.29 73.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.94 -42.29 93.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.0 mt -62.76 -54.69 35.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.16 -33.76 73.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.63 -53.72 14.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.7 p -60.0 -50.93 71.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.12 33.09 0.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.433 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.465 ' N ' ' HD3' ' A' ' 35' ' ' ARG . 1.3 mpp_? 41.7 38.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.366 . . . . 0.0 110.877 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -82.58 -69.51 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.06 157.76 44.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.15 -43.62 82.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.084 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 42' ' ' LEU . 24.5 tt0 -53.17 -56.79 13.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -38.14 -45.21 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.08 -42.72 77.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.1 mm? -60.65 -38.83 86.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.92 -25.31 67.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -90.28 -27.76 19.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.467 HD22 ' CG2' ' A' ' 25' ' ' THR . 70.2 mt -78.42 -36.14 46.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.86 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.46 ' N ' HD23 ' A' ' 12' ' ' LEU . 4.1 mm? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.864 0.364 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.4 mm? -97.39 -26.69 14.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.499 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 7.2 mt-10 -42.28 -58.87 3.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.668 0.747 . . . . 0.0 110.9 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.5 Cg_endo -69.78 -39.52 6.36 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.63 2.22 . . . . 0.0 112.365 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.421 ' CD1' ' HB3' ' A' ' 26' ' ' ALA . 85.6 mt -72.82 -13.46 61.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . 72.3 mt -96.57 -46.73 6.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.4 -21.57 66.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmt -74.33 -25.39 59.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.14 -26.31 4.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.433 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -68.7 138.83 90.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.664 0.745 . . . . 0.0 110.91 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -163.7 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.648 2.232 . . . . 0.0 112.337 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.425 ' CG1' HD13 ' A' ' 27' ' ' LEU . 22.7 t -86.6 -58.14 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.4 -33.33 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.472 ' CG2' HD21 ' A' ' 45' ' ' LEU . 24.0 m -77.55 -58.81 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.461 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . . . -49.45 -34.49 16.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.425 HD13 ' CG1' ' A' ' 23' ' ' VAL . 10.5 mt -67.83 -41.28 83.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -59.16 -50.2 74.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.95 -39.28 87.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.409 ' HG ' ' CD1' ' A' ' 16' ' ' LEU . 15.5 mt -55.89 -63.08 1.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.38 -35.89 70.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.01 -49.2 77.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.072 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.421 HG23 ' C ' ' A' ' 40' ' ' GLU . 72.2 p -76.57 -34.0 58.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 111.08 40.9 1.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.459 ' CD ' ' N ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER 36.17 44.06 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 110.907 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -82.54 -60.89 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -153.9 136.83 15.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 37' ' ' THR . . . -37.0 -45.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.084 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -52.39 -54.93 25.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.421 ' C ' HG23 ' A' ' 33' ' ' THR . 2.1 mm-40 -40.29 -44.75 1.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.81 -41.94 78.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.45 -38.14 86.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.09 -28.15 67.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.8 t90 -84.51 -29.78 25.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.472 HD21 ' CG2' ' A' ' 25' ' ' THR . 76.7 mt -77.01 -37.74 54.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.922 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.435 ' CB ' HD11 ' A' ' 30' ' ' LEU . 15.7 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.798 0.332 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.8 mm? -73.27 -34.42 65.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.512 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 4.2 mm-40 -42.12 -58.57 3.31 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.618 0.723 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.0 Cg_endo -69.73 -39.7 6.26 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.3 mt -72.77 -13.46 61.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LEU . 75.7 mt -96.43 -47.13 6.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.66 -18.71 64.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.2 mmm -77.27 -26.08 52.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.24 -25.9 4.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -68.85 138.34 90.36 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.63 0.729 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -163.81 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.728 2.285 . . . . 0.0 112.373 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.3 t -86.06 -57.69 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.86 -36.02 25.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.469 HG23 ' CD2' ' A' ' 45' ' ' LEU . 54.2 m -73.67 -57.28 4.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.466 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . . . -51.39 -37.85 50.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 mt -64.16 -42.2 96.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.9 mtmm -60.63 -49.99 75.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.18 -37.92 89.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.435 HD11 ' CB ' ' A' ' 12' ' ' LEU . 30.1 mt -65.95 -60.4 2.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.5 -25.83 60.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.17 -39.5 33.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.6 p -83.02 0.83 43.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 80.05 42.77 10.44 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 34' ' ' GLY . 1.3 mpp_? 34.8 48.7 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -80.15 -63.97 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.411 HG21 ' CD ' ' A' ' 40' ' ' GLU . 8.9 t -169.63 166.04 10.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.465 ' HB1' ' CG ' ' A' ' 15' ' ' PRO . . . -49.11 -59.39 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -42.14 -57.71 2.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.411 ' CD ' HG21 ' A' ' 37' ' ' THR . 0.3 OUTLIER -46.06 -43.3 14.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.47 -40.83 95.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.15 -39.22 81.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.21 -23.81 67.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.095 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.3 t90 -93.47 -26.71 17.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.469 ' CD2' HG23 ' A' ' 25' ' ' THR . 9.6 mt -76.75 -34.53 58.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.881 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.448 ' CD1' HD22 ' A' ' 30' ' ' LEU . 13.6 mt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.801 0.334 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.492 ' N ' ' CD2' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -92.48 -26.07 18.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.853 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.505 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 1.7 mm-40 -42.3 -58.76 3.25 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.9 Cg_endo -69.73 -39.58 6.39 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.662 2.241 . . . . 0.0 112.358 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.418 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . 80.4 mt -72.78 -13.47 61.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 13' ' ' LEU . 72.5 mt -96.7 -47.27 5.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.56 -19.77 65.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.1 mmt -76.8 -25.84 53.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.95 -28.85 4.06 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -64.13 140.37 97.89 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.642 0.734 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -163.81 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.347 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.433 HG11 ' CD1' ' A' ' 27' ' ' LEU . 16.5 t -87.31 -56.82 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -50.53 -37.69 40.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.458 HG23 ' CD2' ' A' ' 45' ' ' LEU . 89.2 m -74.31 -55.43 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.431 ' HB1' ' CD1' ' A' ' 13' ' ' LEU . . . -53.04 -33.26 51.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.433 ' CD1' HG11 ' A' ' 23' ' ' VAL . 11.2 mt -69.66 -45.99 67.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm -53.44 -49.96 66.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.23 -40.63 96.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.448 HD22 ' CD1' ' A' ' 12' ' ' LEU . 22.6 mt -59.11 -57.55 12.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.91 -31.66 72.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.433 ' HB3' ' NE1' ' A' ' 44' ' ' TRP . . . -66.86 -48.9 67.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 73.2 p -69.92 -47.22 63.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.95 37.21 0.51 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.455 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 43.21 41.19 2.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.378 . . . . 0.0 110.927 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -78.4 -72.5 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.3 t -148.5 158.17 43.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.171 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.92 -38.15 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 42' ' ' LEU . 2.3 tp10 -61.92 -53.8 50.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -40.59 -42.78 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.68 85.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.5 mm? -63.14 -36.9 85.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.41 -24.87 63.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.458 ' O ' ' CE3' ' A' ' 44' ' ' TRP . 21.7 t90 -90.72 -26.71 19.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.458 ' CD2' HG23 ' A' ' 25' ' ' THR . 36.2 mt -78.77 -34.96 45.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.899 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.465 HD11 ' CZ ' ' A' ' 35' ' ' ARG . 10.4 mt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.861 0.362 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 17' ' ' LEU . 4.1 mm? -75.07 -32.56 61.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.511 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 1.7 mm-40 -42.65 -58.77 3.43 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.664 0.745 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.3 Cg_endo -69.76 -39.45 6.5 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.316 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.459 ' CD1' ' HG ' ' A' ' 30' ' ' LEU . 87.9 mt -72.8 -13.85 61.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 13' ' ' LEU . 72.2 mt -96.25 -47.34 6.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.92 -19.16 63.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.1 mmt -76.06 -25.36 55.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.09 -24.45 5.07 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -69.01 139.7 90.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.643 0.735 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -163.77 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.26 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.418 ' CG1' HD12 ' A' ' 27' ' ' LEU . 25.1 t -87.07 -59.58 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.5 -37.08 7.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.467 ' CG2' HD23 ' A' ' 45' ' ' LEU . 53.8 m -75.34 -58.33 3.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.0 -34.56 13.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.418 HD12 ' CG1' ' A' ' 23' ' ' VAL . 10.5 mt -67.88 -44.36 77.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -58.12 -50.39 73.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.24 -39.12 91.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.459 ' HG ' ' CD1' ' A' ' 16' ' ' LEU . 19.4 mt -65.35 -62.8 1.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.69 -21.49 40.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.17 -53.28 7.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 60.2 p -69.58 -12.04 61.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 91.65 41.8 4.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.465 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 12.0 mmm180 35.1 54.89 0.76 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 110.903 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -89.89 -67.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' ALA . 7.1 t -155.83 141.04 17.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' THR . . . -34.0 -52.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.108 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -46.51 -57.42 4.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.866 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -41.14 -40.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.38 -37.28 85.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.065 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.2 mm? -65.61 -36.52 83.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.24 -23.6 62.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -90.42 -32.65 16.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.467 HD23 ' CG2' ' A' ' 25' ' ' THR . 37.7 mt -72.48 -40.7 66.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.83 179.896 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.6 mt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.4 mm? -74.65 -28.06 60.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.503 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 10.8 mt-10 -41.87 -58.57 3.16 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.607 0.718 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.5 Cg_endo -69.78 -39.86 5.98 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.319 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.414 ' CD2' ' HB1' ' A' ' 41' ' ' ALA . 91.2 mt -72.53 -13.4 61.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 13' ' ' LEU . 75.3 mt -96.31 -45.84 6.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.0 -23.71 67.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmt -72.54 -25.37 61.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.35 -25.77 5.07 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -68.62 138.76 91.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -163.8 0.12 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.467 ' CG1' HD12 ' A' ' 27' ' ' LEU . 24.9 t -86.78 -59.88 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -45.07 -34.25 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.47 ' CG2' HD21 ' A' ' 45' ' ' LEU . 8.7 m -77.45 -60.97 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.47 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . . . -47.2 -33.18 5.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.467 HD12 ' CG1' ' A' ' 23' ' ' VAL . 12.3 mt -69.11 -42.39 76.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm -58.53 -49.99 75.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.39 93.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.69 -54.05 45.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.82 -34.61 76.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.111 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.91 -51.8 43.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 78.8 p -65.07 -48.6 73.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 126.16 38.96 0.44 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 34' ' ' GLY . 25.9 mtt-85 36.02 42.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.349 . . . . 0.0 110.875 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -84.37 -63.0 1.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -146.65 152.08 38.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.84 -39.42 65.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.069 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -57.73 -51.4 69.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -39.45 -46.99 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.414 ' HB1' ' CD2' ' A' ' 16' ' ' LEU . . . -54.57 -43.98 72.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.51 -39.72 84.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.53 -26.91 66.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.064 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -88.37 -26.89 21.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.47 HD21 ' CG2' ' A' ' 25' ' ' THR . 10.9 mt -79.37 -34.07 42.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.847 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.6 mt . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.872 0.368 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 17' ' ' LEU . 2.4 mm? -80.45 -25.59 38.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.504 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 2.4 mm-40 -42.14 -58.69 3.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.651 0.738 . . . . 0.0 110.865 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.7 Cg_endo -69.76 -39.59 6.33 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 75.0 mt -72.83 -13.37 61.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 13' ' ' LEU . 74.7 mt -96.55 -46.6 6.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.43 -21.83 66.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmt -74.97 -25.23 58.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.77 -31.42 3.37 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.495 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -63.76 139.68 97.67 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.622 0.725 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -163.76 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.731 2.287 . . . . 0.0 112.327 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.44 HG12 ' CD1' ' A' ' 27' ' ' LEU . 16.9 t -85.95 -59.27 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -47.6 -38.57 14.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.465 ' CG2' HD22 ' A' ' 45' ' ' LEU . 52.7 m -72.81 -56.94 4.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.469 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . . . -51.25 -34.2 31.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.44 ' CD1' HG12 ' A' ' 23' ' ' VAL . 10.1 mt -68.45 -45.41 72.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -54.94 -50.0 69.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.53 -44.16 97.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.8 mt -59.56 -53.02 62.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.61 -37.7 82.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.71 -61.43 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.0 p -55.73 -52.89 62.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 130.58 43.96 0.18 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' GLY . 0.9 OUTLIER 36.7 38.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.352 . . . . 0.0 110.825 -179.849 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -77.25 -66.44 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.2 168.33 23.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.25 -34.68 78.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 42' ' ' LEU . 2.2 tp10 -63.49 -54.16 40.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -40.14 -42.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.01 85.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.2 mm? -62.65 -38.06 88.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.6 -24.46 63.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.061 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -90.54 -26.4 19.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.465 HD22 ' CG2' ' A' ' 25' ' ' THR . 22.5 mt -79.84 -34.2 39.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.882 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.447 ' CD2' HD22 ' A' ' 30' ' ' LEU . 10.8 mp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.837 0.351 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.5 mm? -72.68 -31.28 64.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.515 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 1.5 mm-40 -42.05 -58.47 3.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.719 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.9 Cg_endo -69.77 -39.56 6.34 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.449 ' CD2' ' CD2' ' A' ' 42' ' ' LEU . 97.4 mt -72.96 -13.27 61.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' LEU . 78.4 mt -97.35 -48.98 5.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.95 -18.35 63.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.068 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.417 ' CG ' ' O ' ' A' ' 15' ' ' PRO . 4.4 mmm -76.82 -24.47 52.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.11 -31.61 3.13 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -65.27 138.58 97.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.668 0.747 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -163.65 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.358 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.446 ' CG1' HD13 ' A' ' 27' ' ' LEU . 19.7 t -84.67 -55.32 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.181 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.45 -35.4 60.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.9 m -73.7 -54.05 8.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.97 -35.66 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.446 HD13 ' CG1' ' A' ' 23' ' ' VAL . 12.1 mt -67.92 -36.05 79.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -57.3 -56.93 15.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.98 -37.42 84.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.067 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.447 HD22 ' CD2' ' A' ' 12' ' ' LEU . 41.1 mt -59.87 -56.3 23.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.48 -34.85 78.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.03 -51.09 61.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.3 p -70.54 -59.11 3.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.14 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 138.93 43.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.525 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 34' ' ' GLY . 75.6 mtp85 34.77 45.09 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.352 . . . . 0.0 110.881 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -83.84 -52.05 6.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.42 HG21 ' CD ' ' A' ' 40' ' ' GLU . 2.4 t -173.76 150.59 1.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.471 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -42.15 -57.54 2.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.042 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -38.84 -60.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.42 ' CD ' HG21 ' A' ' 37' ' ' THR . 0.3 OUTLIER -42.97 -46.19 5.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.31 -45.71 87.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.463 ' N ' HD22 ' A' ' 42' ' ' LEU . 3.6 mm? -56.19 -35.82 67.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.5 -30.28 68.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 21.9 t90 -84.44 -24.8 29.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.9 mt -83.34 -32.7 26.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.857 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.857 0.36 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.2 mm? -72.84 -31.85 65.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.515 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 6.0 mm-40 -42.35 -58.48 3.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.0 Cg_endo -69.73 -39.68 6.28 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.706 2.271 . . . . 0.0 112.363 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.0 mt -72.66 -13.72 61.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . 75.1 mt -96.04 -46.87 6.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.24 -19.94 65.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.6 mmm -75.16 -24.02 57.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.23 -24.66 5.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.545 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.67 138.28 90.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.639 0.733 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -163.73 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.718 2.279 . . . . 0.0 112.353 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.457 ' CG1' ' CD1' ' A' ' 27' ' ' LEU . 20.7 t -86.7 -61.09 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.58 -32.75 1.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.468 ' CG2' HD22 ' A' ' 45' ' ' LEU . 9.0 m -78.07 -61.46 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.466 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . . . -47.56 -32.3 5.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.457 ' CD1' ' CG1' ' A' ' 23' ' ' VAL . 13.7 mt -71.58 -37.8 70.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -56.03 -52.25 64.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.1 -45.92 83.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.076 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.9 mt -54.87 -58.17 8.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.38 -33.01 65.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.71 -72.32 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.5 p -44.37 -55.4 5.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.415 ' HA3' ' NZ ' ' A' ' 36' ' ' LYS . . . 135.85 30.55 0.32 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.4 mtt-85 49.37 26.78 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 110.889 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.415 ' NZ ' ' HA3' ' A' ' 34' ' ' GLY . 1.1 mptt -60.89 -57.75 11.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.408 HG23 ' CD ' ' A' ' 40' ' ' GLU . 11.1 t -173.8 164.21 4.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.01 -59.24 3.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.087 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -39.65 -59.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.409 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -44.23 -47.43 9.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.884 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.29 -44.46 84.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.427 HD21 ' N ' ' A' ' 42' ' ' LEU . 3.6 mm? -56.23 -35.32 67.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.51 -32.22 72.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -83.45 -28.92 28.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.468 HD22 ' CG2' ' A' ' 25' ' ' THR . 50.5 mt -76.24 -36.96 58.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.895 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -82.83 42.02 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.9 p -67.49 155.17 39.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.96 143.37 16.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.7 p 42.98 45.01 4.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.6 m -97.18 90.49 5.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.11 58.79 0.34 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -91.86 -41.15 10.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.9 m -70.03 144.45 92.86 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.639 0.733 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 111.97 2.95 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.665 2.243 . . . . 0.0 112.392 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.4 m -123.11 -70.76 0.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.415 ' HB3' ' CD2' ' A' ' 30' ' ' LEU . 3.6 mm? -79.47 -20.66 46.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 17' ' ' LEU . 4.6 mm? -73.46 -32.03 64.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.508 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 10.4 mt-10 -42.44 -58.69 3.39 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.642 0.734 . . . . 0.0 110.84 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.1 Cg_endo -69.73 -39.55 6.44 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.8 mt -72.76 -13.76 61.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 13' ' ' LEU . 72.7 mt -95.95 -45.5 6.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.64 -22.04 66.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.5 mmm -74.43 -24.98 59.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.61 -27.99 4.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.477 ' CE1' HD11 ' A' ' 58' ' ' ILE . 10.5 m-85 -64.08 140.76 97.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.636 0.732 . . . . 0.0 110.891 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -163.76 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.32 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.412 ' CG1' ' CD1' ' A' ' 27' ' ' LEU . 17.3 t -88.46 -57.52 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.41 -37.9 27.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.46 ' CG2' HD22 ' A' ' 45' ' ' LEU . 91.3 m -74.9 -56.99 4.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.86 -33.01 22.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.412 ' CD1' ' CG1' ' A' ' 23' ' ' VAL . 12.1 mt -69.88 -42.91 72.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -57.84 -50.74 72.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.04 88.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.459 ' CD1' HD23 ' A' ' 13' ' ' LEU . 22.9 mt -62.83 -58.08 8.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.82 -28.48 66.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.76 -48.46 31.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.0 p -73.35 -26.47 61.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.44 34.64 4.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 41.36 44.35 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -80.96 -47.3 13.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 t -171.35 155.09 4.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.43 ' HB3' ' CG ' ' A' ' 15' ' ' PRO . . . -50.59 -49.37 56.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -50.93 -49.6 59.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -47.4 -48.59 26.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.16 -43.17 66.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.04 -38.91 84.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.01 -28.92 69.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.683 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 39.8 t90 -85.05 -29.32 25.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.46 HD22 ' CG2' ' A' ' 25' ' ' THR . 55.6 mt -77.92 -37.92 46.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -68.98 -23.11 64.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -94.5 -25.44 16.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.683 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 6.6 m-70 -92.92 -56.84 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.807 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 48' ' ' HIS . 15.8 p -35.7 -31.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 48' ' ' HIS . 46.7 m-20 -90.6 78.11 6.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -166.06 144.05 4.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 110.859 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -13.37 34.4 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.676 2.25 . . . . 0.0 112.337 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.8 p -92.6 -15.35 27.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 48' ' ' HIS . 23.9 mt -116.27 85.39 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -75.12 113.34 12.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -148.08 159.13 40.69 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.581 0.705 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -12.37 32.73 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.631 2.221 . . . . 0.0 112.319 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.477 HD11 ' CE1' ' A' ' 21' ' ' PHE . 25.5 mm -64.78 86.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.9 p -64.86 125.03 23.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -88.88 -160.04 35.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 171.42 14.47 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.662 2.241 . . . . 0.0 112.371 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.8 m -49.51 -57.46 7.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.2 t -67.24 -55.88 12.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.0 m -137.11 106.39 6.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 0.0 110.835 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 t -105.22 100.0 9.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.29 46.25 63.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.513 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t 57.7 38.26 27.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.902 0.382 . . . . 0.0 110.883 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -56.27 131.17 47.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.868 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.38 68.15 0.1 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.5 p -68.2 157.83 34.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.912 0.387 . . . . 0.0 110.822 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.7 m -122.09 144.46 41.45 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.637 0.732 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 2.76 3.21 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.28 . . . . 0.0 112.324 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.5 m -53.0 -56.87 12.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.5 mt -69.0 -17.01 63.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.2 mm? -85.51 -26.42 26.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.508 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 2.9 mm-40 -42.26 -58.84 3.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.602 0.715 . . . . 0.0 110.846 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.0 Cg_endo -69.77 -39.61 6.28 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.3 mt -72.79 -13.38 61.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LEU . 73.0 mt -96.76 -48.09 5.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.73 -20.21 65.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.7 mmm -76.24 -25.31 54.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.89 -34.65 2.52 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.521 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -62.27 139.81 96.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.643 0.735 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -163.76 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.442 HG11 ' CD1' ' A' ' 27' ' ' LEU . 15.9 t -87.05 -58.03 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.43 -38.54 29.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.439 HG22 ' CD2' ' A' ' 45' ' ' LEU . 86.4 m -74.04 -55.88 5.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.32 -34.42 33.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.442 ' CD1' HG11 ' A' ' 23' ' ' VAL . 9.3 mt -69.68 -38.51 77.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -58.42 -53.8 54.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.569 ' CB ' ' CE3' ' A' ' 44' ' ' TRP . . . -59.47 -41.38 89.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.6 mt -61.3 -55.28 33.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.46 -34.87 73.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.63 -58.69 3.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.9 p -56.33 -54.38 46.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 137.76 39.81 0.12 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.451 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 34' ' ' GLY . 1.1 mpp_? 37.13 41.57 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.859 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -81.82 -67.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.457 ' CG2' ' CD ' ' A' ' 40' ' ' GLU . 9.9 t -156.59 170.68 21.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.141 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.413 ' HB3' ' CG ' ' A' ' 15' ' ' PRO . . . -57.85 -57.83 11.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.075 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -42.07 -58.53 2.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.457 ' CD ' ' CG2' ' A' ' 37' ' ' THR . 0.5 OUTLIER -42.95 -39.42 2.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.33 -39.61 81.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -59.3 -36.01 74.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.34 -25.84 65.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.079 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.654 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 59.2 t90 -90.48 -25.29 20.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.439 ' CD2' HG22 ' A' ' 25' ' ' THR . 9.4 mt -80.94 -30.72 35.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -75.94 -13.68 60.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -106.75 -21.36 13.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.654 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 4.5 m-70 -96.9 -39.25 9.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.8 t -45.94 155.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 74.17 41.42 0.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.66 144.86 39.66 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.604 0.716 . . . . 0.0 110.883 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -10.56 28.87 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.268 . . . . 0.0 112.376 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.8 p -102.06 -13.52 17.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.2 mt -117.43 40.38 3.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -43.67 117.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -119.79 153.13 54.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.586 0.708 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -43.16 2.83 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.639 2.226 . . . . 0.0 112.343 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.2 mp -40.83 118.86 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 t 53.12 42.82 32.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.4 -166.55 0.57 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 140.36 42.34 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.682 2.255 . . . . 0.0 112.356 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.7 m -93.77 -45.95 7.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.8 p -95.12 -51.59 4.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -92.65 105.71 17.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.901 0.381 . . . . 0.0 110.875 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 p -79.44 118.75 21.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.62 -175.78 28.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 t -123.13 100.28 6.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 0.0 110.832 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.8 m -53.68 -48.85 69.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.44 61.92 4.13 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.3 t -59.78 119.07 6.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.874 0.369 . . . . 0.0 110.863 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.4 p -50.98 147.61 8.73 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.662 0.744 . . . . 0.0 110.907 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 102.69 1.06 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.315 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.8 m -109.53 -56.2 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.4 ' CD1' HD22 ' A' ' 30' ' ' LEU . 11.7 mt -78.42 -30.38 47.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 17' ' ' LEU . 4.2 mm? -72.63 -34.06 67.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.5 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 3.3 mm-40 -42.95 -58.82 3.56 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.614 0.721 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.4 Cg_endo -69.76 -39.49 6.44 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.646 2.231 . . . . 0.0 112.348 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.7 mt -72.62 -14.11 61.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 13' ' ' LEU . 69.0 mt -95.7 -46.04 6.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.74 -19.98 65.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.2 mmt -76.57 -24.89 53.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.9 -25.82 5.2 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.464 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -66.79 139.62 95.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.623 0.725 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -163.76 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.434 ' CG1' HD13 ' A' ' 27' ' ' LEU . 26.2 t -87.7 -56.86 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -50.34 -35.58 28.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.467 ' CG2' HD23 ' A' ' 45' ' ' LEU . 99.5 m -75.48 -56.88 4.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.455 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . . . -51.76 -35.34 43.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.434 HD13 ' CG1' ' A' ' 23' ' ' VAL . 13.9 mt -67.19 -42.42 84.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -57.82 -50.12 74.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.464 ' HA ' ' CE3' ' A' ' 44' ' ' TRP . . . -62.92 -41.99 99.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.4 HD22 ' CD1' ' A' ' 12' ' ' LEU . 19.7 mt -57.73 -58.2 9.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.39 -36.74 78.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.3 -52.51 61.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.3 p -67.53 -51.49 50.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 130.91 35.8 0.38 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 34' ' ' GLY . 6.0 mtt-85 35.94 41.51 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.913 0.387 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -83.39 -63.69 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.8 t -143.35 149.27 37.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.15 -42.98 51.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' LEU . 20.9 tt0 -56.43 -53.91 51.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 39' ' ' GLU . 2.2 mm-40 -37.24 -48.43 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.06 -44.25 70.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.7 mm? -60.06 -35.67 75.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.23 -27.12 64.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.502 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 73.1 t90 -86.79 -29.02 22.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.467 HD23 ' CG2' ' A' ' 25' ' ' THR . 45.7 mt -77.79 -37.34 49.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -71.8 -20.06 61.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.23 -26.21 15.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.502 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 4.8 m-70 -92.42 -51.44 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.1 p -39.8 -29.78 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -47.6 -55.09 10.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -57.87 144.01 75.62 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.58 0.705 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -26.13 28.12 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 64.2 p -55.49 -14.08 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 48' ' ' HIS . 34.1 mt -114.53 80.65 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -73.02 156.66 38.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -153.75 145.04 16.41 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.606 0.717 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -13.14 34.12 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.753 2.302 . . . . 0.0 112.332 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.7 mt -59.76 145.49 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 t -77.25 -54.79 6.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.02 83.33 1.73 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 2.69 3.33 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.646 2.231 . . . . 0.0 112.371 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 63' ' ' SER . 43.8 t -102.25 116.93 33.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 62' ' ' SER . 40.6 t -35.68 139.73 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.468 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 m -100.33 154.11 18.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.839 0.352 . . . . 0.0 110.878 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.2 m -96.94 -59.93 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.98 -122.73 0.66 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.524 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -107.35 108.08 19.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.828 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -100.0 151.58 21.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.98 178.96 3.29 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.6 m -118.5 162.64 18.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.361 . . . . 0.0 110.839 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 p -161.44 145.12 9.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.679 0.752 . . . . 0.0 110.825 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 0.13 6.07 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.345 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.0 m -50.76 -51.49 49.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.468 ' CD2' HD22 ' A' ' 30' ' ' LEU . 10.0 mp -70.82 -20.47 62.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.7 mm? -82.6 -27.81 31.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.513 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 6.0 mt-10 -42.09 -58.75 3.13 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.677 0.751 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.1 Cg_endo -69.79 -39.52 6.36 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.41 ' CD2' ' CD2' ' A' ' 42' ' ' LEU . 86.4 mt -72.94 -13.22 61.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . 74.9 mt -97.1 -48.26 5.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.93 -19.38 64.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.8 mmm -76.1 -25.05 55.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.13 -29.87 3.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -63.54 139.97 97.69 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.645 0.736 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -163.79 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.722 2.281 . . . . 0.0 112.311 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.431 ' CG1' HD13 ' A' ' 27' ' ' LEU . 22.9 t -87.62 -56.56 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -50.8 -36.31 36.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.456 HG21 ' CD2' ' A' ' 45' ' ' LEU . 89.2 m -76.05 -55.77 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.47 -33.48 44.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.431 HD13 ' CG1' ' A' ' 23' ' ' VAL . 13.3 mt -69.31 -45.48 69.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -55.42 -50.22 70.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.87 92.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.468 HD22 ' CD2' ' A' ' 12' ' ' LEU . 54.2 mt -62.36 -56.13 21.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.71 -33.54 75.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.054 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.2 -49.55 66.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.3 p -68.23 -53.59 23.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.149 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 136.45 37.6 0.17 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 39.27 37.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.878 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -79.64 -63.37 1.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.9 t -156.72 154.3 29.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.33 -56.04 7.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -39.15 -60.05 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -40.9 -47.05 2.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.69 -44.69 69.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.055 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.41 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 3.9 mm? -58.97 -39.27 81.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.48 -25.63 68.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.563 ' CZ2' ' CG ' ' A' ' 48' ' ' HIS . 41.4 t90 -91.06 -31.08 16.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.456 ' CD2' HG21 ' A' ' 25' ' ' THR . 31.3 mt -72.3 -39.03 68.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -64.76 -22.58 67.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -100.14 -31.42 11.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.563 ' CG ' ' CZ2' ' A' ' 44' ' ' TRP . 40.7 m-70 -104.62 37.42 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.4 t -113.35 -40.76 3.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -82.82 44.6 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.16 144.28 31.88 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.592 0.71 . . . . 0.0 110.912 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -21.42 33.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.2 m -94.45 -13.09 26.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 77.4 mt -115.46 42.63 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -62.16 118.69 7.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -91.68 156.04 43.22 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.601 0.715 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -29.35 24.13 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.248 . . . . 0.0 112.337 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 60' ' ' GLY . 5.3 mp -55.21 -41.32 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.3 p 41.79 25.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 58' ' ' ILE . . . 113.94 -94.23 0.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 114.32 3.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.7 m -79.9 116.22 19.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 m -59.72 122.51 14.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.832 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.528 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 p -165.78 174.67 9.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.372 . . . . 0.0 110.826 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -47.15 -59.61 3.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.67 -81.31 0.35 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.9 p -78.08 139.51 39.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.83 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -136.37 175.28 9.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.48 -51.45 26.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.9 m -113.57 136.69 52.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 110.888 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 t -154.93 142.21 13.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.686 0.755 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 2.36 3.59 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.73 2.287 . . . . 0.0 112.337 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.0 p -51.13 -74.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -59.02 -13.1 5.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.504 ' N ' ' CD2' ' A' ' 13' ' ' LEU . 1.1 mm? -83.93 -28.82 27.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.516 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 14.5 mm-40 -41.78 -58.6 3.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.611 0.719 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.4 Cg_endo -69.77 -39.63 6.25 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.7 2.266 . . . . 0.0 112.294 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.6 mt -72.95 -13.01 61.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 13' ' ' LEU . 77.7 mt -97.38 -48.13 5.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.0 -18.58 63.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.0 mmm -77.09 -25.62 52.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.77 -31.36 3.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -64.39 139.94 97.84 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -163.81 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.709 2.273 . . . . 0.0 112.367 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.419 ' CG1' ' CD1' ' A' ' 27' ' ' LEU . 18.2 t -87.32 -56.58 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -50.83 -36.77 39.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.469 ' CG2' HD22 ' A' ' 45' ' ' LEU . 88.8 m -75.58 -55.69 5.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.64 -32.82 43.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.419 ' CD1' ' CG1' ' A' ' 23' ' ' VAL . 12.1 mt -70.05 -44.51 69.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -55.84 -50.45 70.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.81 95.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 58.5 mt -60.92 -55.97 26.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.16 -34.8 72.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.103 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.73 -60.64 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.08 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.6 p -56.42 -50.33 71.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 133.1 41.38 0.18 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' GLY . 59.4 mtm180 35.81 44.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.854 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -86.74 -60.72 1.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.416 HG21 ' CD ' ' A' ' 40' ' ' GLU . 6.5 t -157.75 179.62 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.467 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -70.91 -50.68 32.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -46.62 -58.2 4.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.416 ' CD ' HG21 ' A' ' 37' ' ' THR . 0.5 OUTLIER -41.21 -43.56 2.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.54 -42.71 99.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.094 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.404 ' N ' HD21 ' A' ' 42' ' ' LEU . 3.4 mm? -56.49 -36.04 68.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.39 -28.98 66.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.535 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 58.8 t90 -84.51 -25.83 28.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.469 HD22 ' CG2' ' A' ' 25' ' ' THR . 28.6 mt -83.3 -34.34 25.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -72.21 -19.85 61.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -98.18 -28.88 13.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.535 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 8.2 m-70 -86.34 -52.92 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 48' ' ' HIS . 19.1 p -34.84 -38.11 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -60.09 -51.43 69.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 48' ' ' HIS . 4.6 m-20 -39.7 147.31 0.34 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.581 0.705 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -30.18 22.52 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.678 2.252 . . . . 0.0 112.358 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.0 m -58.35 -12.88 4.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 55' ' ' ASP . 12.5 mt -121.7 81.38 1.8 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 54' ' ' LEU . 19.7 t70 -35.2 -52.22 0.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -164.9 144.05 5.64 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.585 0.707 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.3 mm -73.27 125.64 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.4 m -111.97 32.89 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -162.86 83.36 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 97.22 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.362 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.1 t -144.37 154.34 42.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.8 t -111.96 113.21 25.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -159.09 129.74 5.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.833 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 m -123.49 125.88 45.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.54 102.45 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 6' ' ' SER . 89.1 p -92.32 150.68 20.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 110.846 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 5' ' ' SER . 26.5 p -36.58 139.16 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.76 -168.06 38.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.452 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.8 m -102.48 143.52 32.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.7 p -120.18 143.69 36.21 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.689 0.757 . . . . 0.0 110.849 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -9.31 25.8 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.342 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.3 m -56.52 -57.62 11.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt -68.32 -22.49 64.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' LEU . 2.7 mm? -72.16 -31.59 66.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.51 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 9.3 mt-10 -42.63 -58.82 3.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.682 0.753 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.4 Cg_endo -69.78 -39.56 6.33 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.266 . . . . 0.0 112.326 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.442 ' CD1' ' HG ' ' A' ' 30' ' ' LEU . 80.9 mt -72.69 -13.74 61.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LEU . 70.7 mt -96.19 -46.28 6.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.43 -21.14 66.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.7 mmm -75.64 -27.45 58.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.14 -26.56 3.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.524 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -67.89 139.07 93.06 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.665 0.745 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -163.8 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.43 ' CG1' HD13 ' A' ' 27' ' ' LEU . 25.4 t -88.06 -58.74 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.21 -36.88 14.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.47 HG21 ' CD2' ' A' ' 45' ' ' LEU . 95.4 m -74.53 -58.66 3.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HB1' ' CD1' ' A' ' 13' ' ' LEU . . . -49.01 -36.92 18.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.43 HD13 ' CG1' ' A' ' 23' ' ' VAL . 10.8 mt -65.87 -46.35 78.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -57.12 -50.01 74.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.56 ' CB ' ' CE3' ' A' ' 44' ' ' TRP . . . -64.12 -41.21 97.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.442 ' HG ' ' CD1' ' A' ' 16' ' ' LEU . 17.9 mt -59.82 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.42 -30.22 18.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.067 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.49 -43.98 75.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 35' ' ' ARG . 22.3 p -96.78 53.46 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 44.55 20.7 0.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' GLY . 6.0 ptt180 34.51 46.7 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 0.0 110.829 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -75.41 -59.4 2.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.413 HG23 ' CD ' ' A' ' 40' ' ' GLU . 14.6 t -147.26 159.18 43.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.409 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -49.2 -53.32 21.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -40.91 -60.55 1.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.413 ' CD ' HG23 ' A' ' 37' ' ' THR . 0.4 OUTLIER -43.0 -47.39 5.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.33 -46.22 76.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.44 -40.25 71.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.16 -23.67 67.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.56 ' CE3' ' CB ' ' A' ' 29' ' ' ALA . 57.7 t90 -91.52 -30.01 16.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.47 ' CD2' HG21 ' A' ' 25' ' ' THR . 27.5 mt -73.59 -37.71 65.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -68.89 -19.06 64.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -102.67 -27.22 12.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -109.64 43.0 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.0 p -107.3 -39.5 5.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -49.38 -50.32 40.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -40.64 144.06 0.63 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.632 0.729 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -47.11 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.65 2.234 . . . . 0.0 112.393 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.7 m -61.74 -15.11 38.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.0 mt -113.5 40.81 2.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -90.56 164.27 14.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -131.27 148.58 70.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.628 0.727 . . . . 0.0 110.823 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -0.74 7.36 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.68 2.253 . . . . 0.0 112.312 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 39.8 mt -59.53 106.87 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.177 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.2 t -66.24 151.46 46.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.2 146.27 15.1 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.52 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 130.31 19.1 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.684 2.256 . . . . 0.0 112.371 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.8 t -133.41 115.97 15.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.1 t -174.41 141.88 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t -131.63 116.21 17.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.372 . . . . 0.0 110.822 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.2 m -77.1 115.48 16.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.22 39.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -61.4 125.09 22.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.36 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.7 p -132.21 116.48 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.77 -49.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.475 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.2 m -118.94 174.49 6.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.919 0.39 . . . . 0.0 110.869 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 t -75.08 142.44 75.87 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.671 0.748 . . . . 0.0 110.885 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 2.77 3.23 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.686 2.257 . . . . 0.0 112.379 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 t -57.61 -53.96 52.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.443 HD21 ' CD2' ' A' ' 30' ' ' LEU . 10.3 mp -69.27 -18.05 63.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 17' ' ' LEU . 2.5 mm? -83.86 -28.43 28.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.51 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 3.8 mm-40 -42.3 -58.79 3.22 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.696 0.76 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.8 Cg_endo -69.82 -39.35 6.49 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.526 ' CD2' ' CD2' ' A' ' 42' ' ' LEU . 82.1 mt -72.96 -13.46 61.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' LEU . 73.6 mt -96.72 -46.67 6.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.28 -23.66 67.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.2 mmm -72.26 -25.71 61.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.83 -33.01 2.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.15 140.13 94.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.701 0.763 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -163.74 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.262 . . . . 0.0 112.329 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.444 ' CG1' HD12 ' A' ' 27' ' ' LEU . 17.4 t -87.43 -56.38 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -50.98 -37.3 43.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.465 HG22 ' CD2' ' A' ' 45' ' ' LEU . 89.2 m -74.83 -55.93 5.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.446 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . . . -52.74 -32.93 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.444 HD12 ' CG1' ' A' ' 23' ' ' VAL . 13.5 mt -70.1 -45.54 66.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -55.29 -50.47 69.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.87 -43.17 90.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.124 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.443 ' CD2' HD21 ' A' ' 12' ' ' LEU . 33.5 mt -63.05 -53.79 48.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.13 -33.34 69.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.486 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . . . -68.78 -58.11 4.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.5 p -57.61 -51.59 68.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.19 34.12 0.21 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.1 mtt85 43.42 44.27 4.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.868 0.365 . . . . 0.0 110.899 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -84.53 -62.44 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.7 t -164.37 162.32 22.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 39' ' ' GLU . . . -45.84 -62.12 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 38' ' ' ALA . 40.8 mt-10 -35.1 -61.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.29 -47.81 6.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.409 ' CB ' HD13 ' A' ' 16' ' ' LEU . . . -55.28 -44.71 75.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.526 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 4.2 mm? -57.36 -40.17 77.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.12 -27.69 69.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.486 ' CD1' ' HB2' ' A' ' 32' ' ' ALA . 46.5 t90 -88.07 -29.29 20.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.465 ' CD2' HG22 ' A' ' 25' ' ' THR . 37.2 mt -74.95 -37.6 61.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -65.08 -26.77 68.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -95.88 -33.29 12.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.419 ' O ' ' CD1' ' A' ' 54' ' ' LEU . 44.7 m-70 -103.4 43.62 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.3 p -104.99 -38.16 6.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -84.01 37.83 0.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.422 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 3.9 t70 -97.82 141.19 22.59 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.72 . . . . 0.0 110.838 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 51' ' ' ASP . 53.9 Cg_endo -69.79 -44.9 1.79 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -67.61 -15.37 63.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.419 ' CD1' ' O ' ' A' ' 48' ' ' HIS . 96.2 mt -97.87 44.69 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -63.13 121.53 13.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -149.46 151.19 32.94 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -0.16 6.5 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.738 2.292 . . . . 0.0 112.369 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.436 HG21 ' N ' ' A' ' 59' ' ' SER . 46.9 mm -55.02 135.52 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.436 ' N ' HG21 ' A' ' 58' ' ' ILE . 68.7 m -43.11 162.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.73 171.25 38.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.522 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 2.85 3.2 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.64 2.227 . . . . 0.0 112.305 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.4 m -153.39 144.03 22.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.8 p -57.05 -47.43 80.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -88.24 127.33 35.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.883 0.373 . . . . 0.0 110.873 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t 62.14 44.17 8.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.03 76.48 0.22 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.454 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -74.56 175.03 8.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 t -99.6 99.91 10.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.89 144.85 5.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.478 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.2 t -43.83 148.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.5 m -76.94 147.33 77.14 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 110.824 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -0.32 6.78 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.633 2.222 . . . . 0.0 112.325 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 t -71.51 -48.86 46.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.457 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 4.5 mm? -69.6 -12.14 61.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.1 mm? -102.89 -27.32 12.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.976 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.508 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 3.1 mm-40 -42.59 -58.91 3.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.9 Cg_endo -69.73 -39.54 6.43 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.471 ' CD2' ' CD2' ' A' ' 42' ' ' LEU . 87.4 mt -72.73 -13.75 61.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 13' ' ' LEU . 70.4 mt -96.21 -46.95 6.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.71 -18.6 64.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 22.0 mmm -77.94 -24.84 48.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.08 -34.28 2.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -58.47 139.56 85.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.689 0.757 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.256 . . . . 0.0 112.338 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.462 HG12 ' CD1' ' A' ' 27' ' ' LEU . 17.4 t -89.1 -54.46 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -50.81 -33.63 24.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.463 HG23 ' CD2' ' A' ' 45' ' ' LEU . 49.8 m -78.92 -57.91 3.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.467 ' HB1' ' CD1' ' A' ' 13' ' ' LEU . . . -50.61 -30.9 14.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.462 ' CD1' HG12 ' A' ' 23' ' ' VAL . 15.9 mt -72.34 -42.45 65.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HD2' ' CD2' ' A' ' 54' ' ' LEU . 19.1 mtmt -56.75 -50.49 72.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.415 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -63.02 -44.37 96.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.466 ' CD1' HD22 ' A' ' 13' ' ' LEU . 47.8 mt -57.23 -59.19 5.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.96 -32.92 64.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.9 -63.26 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.7 p -56.01 -71.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 36' ' ' LYS . . . 158.07 35.96 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.409 ' HD3' ' N ' ' A' ' 35' ' ' ARG . 2.1 mpp_? 39.22 30.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -71.26 -59.59 2.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.42 HG22 ' CD ' ' A' ' 40' ' ' GLU . 6.2 t -159.93 179.87 8.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.82 -53.79 19.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -43.77 -58.83 2.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.42 ' CD ' HG22 ' A' ' 37' ' ' THR . 0.5 OUTLIER -47.03 -38.96 11.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.38 -36.19 73.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.471 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 3.7 mm? -62.44 -35.69 80.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.42 -27.51 66.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.472 ' C ' ' CE3' ' A' ' 44' ' ' TRP . 9.0 t90 -87.97 -29.61 20.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 25' ' ' THR . 41.6 mt -75.5 -37.32 60.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.953 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -68.08 -25.48 65.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -94.84 -33.26 12.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.423 ' HB2' ' CZ3' ' A' ' 44' ' ' TRP . 44.1 m-70 -103.83 43.08 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.808 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 t -114.03 -40.14 3.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -58.59 -43.34 89.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -39.73 144.15 0.52 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.63 0.729 . . . . 0.0 110.89 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -47.47 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.342 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.0 t -60.07 -13.77 13.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.424 ' CD2' ' HD2' ' A' ' 28' ' ' LYS . 13.0 mt -118.87 43.35 2.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -65.14 135.76 55.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -124.43 153.26 69.18 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.728 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -38.41 7.85 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 95.4 mt -38.4 123.99 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.191 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.7 m -88.13 -57.94 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 112.63 -94.43 0.73 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.494 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 110.27 2.51 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.7 p -169.68 167.71 9.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.3 p -127.04 148.15 50.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.533 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.3 p -147.69 152.36 37.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.6 p -110.98 171.04 7.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.03 159.1 0.28 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.51 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 p -145.49 131.16 18.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.7 m -74.21 151.08 40.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.49 -178.79 0.39 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.9 p -169.33 132.85 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.379 . . . . 0.0 110.874 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.2 m -100.95 154.68 37.01 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.662 0.744 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 99.73 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.396 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.3 m -127.05 -55.38 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 mt -78.35 -34.98 48.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.9 mm? -73.03 -31.67 64.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.509 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 3.4 mm-40 -42.69 -58.83 3.4 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.635 0.731 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.9 Cg_endo -69.79 -39.46 6.42 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.348 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.1 mt -72.68 -13.95 61.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 13' ' ' LEU . 70.3 mt -96.1 -46.79 6.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.46 -19.2 64.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.8 mmm -77.48 -26.75 51.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.2 -27.27 4.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -66.09 140.62 97.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.667 0.746 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -163.74 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.657 2.238 . . . . 0.0 112.332 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.435 HG12 ' CD1' ' A' ' 27' ' ' LEU . 18.9 t -88.95 -57.18 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.49 -37.11 25.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.459 HG21 ' CD2' ' A' ' 45' ' ' LEU . 86.1 m -75.3 -57.3 3.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.95 -32.97 22.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.435 ' CD1' HG12 ' A' ' 23' ' ' VAL . 13.7 mt -69.83 -44.87 69.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm -55.67 -50.37 70.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.37 98.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.7 mt -59.61 -54.59 44.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.38 -33.84 73.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.28 -54.19 19.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 74.0 p -61.66 -47.67 84.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.64 40.2 0.36 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.5 mtt-85 39.75 35.88 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -76.41 -65.84 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.8 t -157.8 167.16 30.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.157 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.459 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -58.77 -55.08 39.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -42.03 -50.88 4.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -50.6 -48.74 57.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.12 -40.4 67.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.64 -39.02 89.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.5 -23.76 66.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.418 ' CZ2' ' ND1' ' A' ' 48' ' ' HIS . 51.7 t90 -91.7 -29.36 16.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.459 ' CD2' HG21 ' A' ' 25' ' ' THR . 21.0 mt -76.17 -37.51 57.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -63.16 -16.77 61.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -107.17 -24.68 11.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.418 ' ND1' ' CZ2' ' A' ' 44' ' ' TRP . 29.2 m-70 -106.86 36.83 2.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.3 p -107.31 175.3 5.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.8 t30 43.32 37.77 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 6.6 t70 -98.69 139.98 21.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.715 . . . . 0.0 110.835 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.42 ' HD2' ' CG ' ' A' ' 51' ' ' ASP . 53.4 Cg_endo -69.83 -7.67 21.67 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.281 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.1 t -107.01 -14.47 14.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.9 mt -116.91 84.61 2.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -61.31 148.28 41.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -158.87 144.38 12.03 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.599 0.714 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -1.78 9.09 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 49.2 mt -77.61 104.07 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.1 t -106.84 118.52 36.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.05 157.51 25.2 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 163.73 37.15 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 t -109.9 156.9 19.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.3 t -97.4 161.62 13.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.514 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 m -115.34 175.44 5.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 p -116.92 -53.19 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.95 -115.55 0.33 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 t -83.75 95.92 8.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.881 0.372 . . . . 0.0 110.879 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 t -50.7 -49.58 57.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.91 -126.53 8.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.2 p -105.59 125.83 51.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.5 p -148.8 144.37 18.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.692 0.758 . . . . 0.0 110.833 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 0.42 5.64 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.641 2.227 . . . . 0.0 112.392 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.9 m -57.36 -51.76 68.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.467 ' CD2' HD22 ' A' ' 30' ' ' LEU . 10.6 mp -72.58 -14.71 61.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.978 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' LEU . 2.1 mm? -85.68 -29.58 23.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.513 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 12.4 mt-10 -42.76 -58.74 3.53 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.632 0.73 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.9 Cg_endo -69.77 -39.3 6.64 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.231 . . . . 0.0 112.393 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.439 ' CD2' ' CD2' ' A' ' 42' ' ' LEU . 86.2 mt -72.85 -13.88 61.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LEU . 71.9 mt -96.2 -46.19 6.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.23 -21.19 66.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.0 mmm -74.71 -23.87 58.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.79 -27.7 4.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -66.15 139.27 96.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.625 0.726 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -163.71 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.242 . . . . 0.0 112.377 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.462 ' CG1' HD12 ' A' ' 27' ' ' LEU . 24.7 t -88.09 -58.19 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.084 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.91 -31.06 6.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.463 HG22 ' CD2' ' A' ' 45' ' ' LEU . 51.4 m -78.83 -60.33 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.29 -34.51 15.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.117 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.462 HD12 ' CG1' ' A' ' 23' ' ' VAL . 15.0 mt -68.12 -41.87 81.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -59.55 -50.51 73.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.593 ' CB ' ' CE3' ' A' ' 44' ' ' TRP . . . -64.77 -36.96 86.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.086 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.467 HD22 ' CD2' ' A' ' 12' ' ' LEU . 33.0 mt -65.89 -57.95 6.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.68 -26.7 62.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.74 -52.01 9.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.075 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.7 p -62.97 -44.12 96.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.135 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.22 33.42 0.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 65.7 mtt85 38.4 39.88 0.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.8 mttp -82.2 -61.07 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.418 HG23 ' CD ' ' A' ' 40' ' ' GLU . 9.0 t -163.18 147.23 10.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 39' ' ' GLU . . . -37.82 -57.48 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 38' ' ' ALA . 53.6 mt-10 -34.54 -62.84 0.33 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.418 ' CD ' HG23 ' A' ' 37' ' ' THR . 0.5 OUTLIER -42.37 -46.73 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.87 -45.0 78.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.049 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.439 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 4.1 mm? -56.82 -39.43 74.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.05 -20.87 65.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.593 ' CE3' ' CB ' ' A' ' 29' ' ' ALA . 36.1 t90 -95.4 -27.39 15.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.463 ' CD2' HG22 ' A' ' 25' ' ' THR . 9.5 mt -78.49 -33.67 47.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -69.44 -18.42 63.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -105.2 -27.16 11.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -107.16 38.5 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.2 t -107.59 -43.91 4.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -87.33 89.03 7.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -159.8 157.03 25.49 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.59 0.71 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -26.31 27.7 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.264 . . . . 0.0 112.295 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.8 m -93.49 -14.79 26.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 67.4 mt -122.1 79.2 1.56 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.48 145.6 27.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -150.55 151.51 30.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.58 0.705 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -32.94 17.65 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.329 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 23.7 mt -66.82 87.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.15 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.5 p -127.59 156.58 42.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -158.78 -160.34 10.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.12 39.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.1 t -59.0 136.07 57.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.7 m -137.85 124.99 21.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.536 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 1' ' ' GLY . 60.3 p 36.98 41.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 110.824 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.3 t -102.76 -47.42 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.97 -173.83 39.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -130.85 -46.29 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 m -143.85 150.16 38.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.02 -45.56 95.33 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.433 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.4 m -82.15 84.7 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.874 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t -124.14 80.23 58.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.657 0.742 . . . . 0.0 110.84 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 82.24 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.8 m -111.3 -53.33 2.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.42 HD13 ' NH2' ' A' ' 35' ' ' ARG . 15.6 mt -76.32 -26.75 56.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.0 mm? -77.92 -29.66 50.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.501 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 6.9 mm-40 -42.17 -58.77 3.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.647 0.737 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.9 Cg_endo -69.77 -39.45 6.47 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.414 ' CD1' ' HG ' ' A' ' 30' ' ' LEU . 91.4 mt -72.87 -13.52 61.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' LEU . 74.6 mt -96.4 -46.51 6.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.77 -19.82 65.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmt -76.25 -24.58 54.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.09 -26.25 5.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.516 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -66.85 140.37 96.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.671 0.748 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.1 t -86.34 -57.84 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -50.0 -34.69 21.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.464 ' CG2' HD22 ' A' ' 45' ' ' LEU . 69.1 m -75.57 -56.4 4.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.31 -35.6 50.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 mt -67.06 -45.95 75.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -56.97 -50.37 72.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.469 ' HA ' ' CE3' ' A' ' 44' ' ' TRP . . . -61.1 -40.29 93.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.414 ' HG ' ' CD1' ' A' ' 16' ' ' LEU . 31.4 mt -62.96 -58.91 5.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.46 -30.82 61.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.7 -53.38 28.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.419 HG21 ' C ' ' A' ' 40' ' ' GLU . 43.7 p -69.99 -23.32 63.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.35 43.43 2.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.42 ' NH2' HD13 ' A' ' 12' ' ' LEU . 64.3 mtp85 38.55 45.37 0.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 110.906 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -79.73 -65.13 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.1 t -152.33 158.96 43.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.64 -42.94 68.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 42' ' ' LEU . 9.6 tp10 -59.59 -52.65 64.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.419 ' C ' HG21 ' A' ' 33' ' ' THR . 2.2 mm-40 -38.65 -44.74 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.401 ' HB3' ' CD2' ' A' ' 16' ' ' LEU . . . -57.69 -41.06 80.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.3 mm? -62.62 -36.27 82.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.49 -25.97 64.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.094 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.689 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 70.0 t90 -87.32 -29.65 21.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.464 HD22 ' CG2' ' A' ' 25' ' ' THR . 54.7 mt -77.56 -37.93 49.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -70.15 -10.06 57.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.07 -22.05 12.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.689 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 5.8 m-70 -95.2 -45.29 7.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 48' ' ' HIS . 1.2 t -34.39 -38.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -88.78 65.76 7.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.423 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 3.1 t70 -141.63 141.15 21.69 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.57 0.7 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 51' ' ' ASP . 54.0 Cg_endo -69.73 -7.02 19.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.367 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 64.8 m -94.05 -15.21 25.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 55' ' ' ASP . 27.5 mt -110.07 81.89 1.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 54' ' ' LEU . 28.8 t70 -34.4 -65.04 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -149.69 148.13 24.77 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.581 0.705 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -46.43 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.233 . . . . 0.0 112.348 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.3 mm -82.41 143.71 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.5 t -120.75 96.26 5.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 143.2 81.94 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.525 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 168.13 22.44 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.0 p -125.22 -47.38 1.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m -60.21 93.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.495 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m 64.77 42.28 4.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 0.0 110.867 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -55.48 110.15 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.821 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.73 -82.64 1.65 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.51 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.1 p -97.32 163.95 12.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.2 p -101.73 -51.27 3.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.815 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.06 137.21 47.21 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.3 m -102.69 -31.38 10.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 110.821 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.2 p -81.37 147.47 60.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.625 0.726 . . . . 0.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.401 ' O ' ' N ' ' A' ' 13' ' ' LEU . 53.0 Cg_endo -69.82 2.94 3.11 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.677 2.251 . . . . 0.0 112.295 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 t -43.3 -50.05 6.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -74.46 -22.59 59.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.4 mm? -80.44 -25.56 38.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.514 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 12.6 mt-10 -43.61 -58.47 4.43 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.703 0.764 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.5 Cg_endo -69.79 -37.52 8.98 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.235 . . . . 0.0 112.327 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.0 mt -74.96 -13.75 60.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 13' ' ' LEU . 74.7 mt -96.78 -47.26 5.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.47 -24.26 67.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.421 ' CG ' ' O ' ' A' ' 15' ' ' PRO . 2.2 mmt -71.53 -26.2 62.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.63 -33.73 2.8 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -60.48 139.17 92.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.671 0.748 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -163.82 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.452 ' CG1' HD13 ' A' ' 27' ' ' LEU . 23.6 t -85.54 -57.11 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.22 -35.68 37.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.467 ' CG2' HD22 ' A' ' 45' ' ' LEU . 99.5 m -75.87 -54.36 7.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.34 -34.04 60.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.452 HD13 ' CG1' ' A' ' 23' ' ' VAL . 12.1 mt -68.73 -42.62 77.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -57.54 -50.29 73.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.94 -42.29 93.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.0 mt -62.76 -54.69 35.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.16 -33.76 73.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.63 -53.72 14.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.7 p -60.0 -50.93 71.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.12 33.09 0.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.433 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.465 ' HD3' ' N ' ' A' ' 35' ' ' ARG . 1.3 mpp_? 41.7 38.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.366 . . . . 0.0 110.877 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -82.58 -69.51 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.06 157.76 44.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.15 -43.62 82.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.084 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 42' ' ' LEU . 24.5 tt0 -53.17 -56.79 13.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -38.14 -45.21 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.08 -42.72 77.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.1 mm? -60.65 -38.83 86.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.92 -25.31 67.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.787 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 35.6 t90 -90.28 -27.76 19.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.467 HD22 ' CG2' ' A' ' 25' ' ' THR . 70.2 mt -78.42 -36.14 46.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -71.78 -17.32 62.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -99.08 -29.23 12.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.787 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 12.6 m-70 -90.75 -48.22 7.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.8 t -41.31 -24.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' HIS . 5.4 m-20 -89.42 50.09 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.36 144.03 51.61 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 0.0 110.887 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -16.32 37.56 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.741 2.294 . . . . 0.0 112.34 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.3 m -99.55 -15.35 18.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.427 ' CD1' ' HB3' ' A' ' 48' ' ' HIS . 78.5 mt -107.52 45.83 0.98 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -43.37 126.39 4.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -109.46 144.85 30.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.584 0.707 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 59' ' ' SER . 54.1 Cg_endo -69.69 -42.23 3.66 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.67 2.247 . . . . 0.0 112.373 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.7 mp -38.21 95.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 57' ' ' PRO . 5.5 t -51.2 103.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.87 -158.29 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -6.22 18.08 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.343 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 t 56.74 48.39 16.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 62.9 m -61.0 156.92 16.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.53 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -74.52 -53.8 8.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 110.831 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 p -51.97 175.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -176.82 -142.73 4.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 4' ' ' GLY . 80.5 p -35.3 -39.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.893 0.378 . . . . 0.0 110.873 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 p -42.94 122.99 2.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 8' ' ' SER . . . -84.14 -133.61 2.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 7' ' ' GLY . 58.0 m -37.07 140.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.882 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.3 m -144.69 149.0 41.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.649 0.738 . . . . 0.0 110.833 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -22.1 32.31 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.295 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 m -52.88 -52.25 58.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.814 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.46 ' N ' HD23 ' A' ' 12' ' ' LEU . 4.1 mm? -64.06 -14.16 52.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.4 mm? -97.39 -26.69 14.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.499 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 7.2 mt-10 -42.28 -58.87 3.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.668 0.747 . . . . 0.0 110.9 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.5 Cg_endo -69.78 -39.52 6.36 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.63 2.22 . . . . 0.0 112.365 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.421 ' CD1' ' HB3' ' A' ' 26' ' ' ALA . 85.6 mt -72.82 -13.46 61.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . 72.3 mt -96.57 -46.73 6.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.4 -21.57 66.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmt -74.33 -25.39 59.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.14 -26.31 4.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.433 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -68.7 138.83 90.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.664 0.745 . . . . 0.0 110.91 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -163.7 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.648 2.232 . . . . 0.0 112.337 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.425 ' CG1' HD13 ' A' ' 27' ' ' LEU . 22.7 t -86.6 -58.14 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.4 -33.33 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.472 ' CG2' HD21 ' A' ' 45' ' ' LEU . 24.0 m -77.55 -58.81 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.461 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . . . -49.45 -34.49 16.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.425 HD13 ' CG1' ' A' ' 23' ' ' VAL . 10.5 mt -67.83 -41.28 83.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -59.16 -50.2 74.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.95 -39.28 87.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.409 ' HG ' ' CD1' ' A' ' 16' ' ' LEU . 15.5 mt -55.89 -63.08 1.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.38 -35.89 70.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.01 -49.2 77.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.072 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.421 HG23 ' C ' ' A' ' 40' ' ' GLU . 72.2 p -76.57 -34.0 58.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 111.08 40.9 1.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.459 ' N ' ' CD ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER 36.17 44.06 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 110.907 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -82.54 -60.89 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -153.9 136.83 15.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 37' ' ' THR . . . -37.0 -45.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.084 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -52.39 -54.93 25.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.421 ' C ' HG23 ' A' ' 33' ' ' THR . 2.1 mm-40 -40.29 -44.75 1.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.81 -41.94 78.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.45 -38.14 86.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.09 -28.15 67.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.679 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 36.8 t90 -84.51 -29.78 25.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.472 HD21 ' CG2' ' A' ' 25' ' ' THR . 76.7 mt -77.01 -37.74 54.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -66.42 -31.37 72.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -85.31 -33.41 22.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.679 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 10.0 m-70 -82.96 -59.83 2.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 48' ' ' HIS . 49.1 t -34.47 -40.15 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -37.83 -50.82 1.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 2.9 t70 -45.77 141.16 4.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.64 0.733 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 51' ' ' ASP . 54.2 Cg_endo -69.73 -11.02 30.01 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.656 2.237 . . . . 0.0 112.367 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.1 m -99.33 -15.39 18.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.7 mt -105.02 41.32 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.62 167.67 21.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.86 153.48 80.93 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.608 0.718 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -3.52 12.16 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.723 2.282 . . . . 0.0 112.351 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.7 mt -75.86 133.52 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.5 t -97.19 137.62 35.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 57.54 83.4 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -16.99 38.08 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.2 t -139.77 141.3 36.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.825 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.7 t -135.98 137.9 41.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.522 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -155.84 159.32 39.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 110.801 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m -80.81 167.9 19.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.8 -121.76 19.69 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.3 p -127.97 88.0 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.856 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 t -147.28 143.83 28.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.23 -123.36 7.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.458 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 81.3 p -145.63 173.36 12.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.2 p -164.1 144.46 6.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.646 0.736 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 2.54 3.46 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.263 . . . . 0.0 112.37 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 m -63.27 -56.08 19.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.829 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.435 ' CB ' HD11 ' A' ' 30' ' ' LEU . 15.7 mt -72.3 -32.37 66.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.8 mm? -73.27 -34.42 65.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.512 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 4.2 mm-40 -42.12 -58.57 3.31 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.618 0.723 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.0 Cg_endo -69.73 -39.7 6.26 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.3 mt -72.77 -13.46 61.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LEU . 75.7 mt -96.43 -47.13 6.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.66 -18.71 64.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.2 mmm -77.27 -26.08 52.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.24 -25.9 4.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -68.85 138.34 90.36 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.63 0.729 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -163.81 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.728 2.285 . . . . 0.0 112.373 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.3 t -86.06 -57.69 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.86 -36.02 25.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.469 HG23 ' CD2' ' A' ' 45' ' ' LEU . 54.2 m -73.67 -57.28 4.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.466 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . . . -51.39 -37.85 50.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 mt -64.16 -42.2 96.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.9 mtmm -60.63 -49.99 75.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.18 -37.92 89.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.435 HD11 ' CB ' ' A' ' 12' ' ' LEU . 30.1 mt -65.95 -60.4 2.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.5 -25.83 60.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.17 -39.5 33.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.6 p -83.02 0.83 43.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 80.05 42.77 10.44 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 34' ' ' GLY . 1.3 mpp_? 34.8 48.7 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -80.15 -63.97 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.411 HG21 ' CD ' ' A' ' 40' ' ' GLU . 8.9 t -169.63 166.04 10.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.465 ' HB1' ' CG ' ' A' ' 15' ' ' PRO . . . -49.11 -59.39 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -42.14 -57.71 2.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.411 ' CD ' HG21 ' A' ' 37' ' ' THR . 0.3 OUTLIER -46.06 -43.3 14.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.47 -40.83 95.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.15 -39.22 81.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.21 -23.81 67.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.095 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.3 t90 -93.47 -26.71 17.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.469 ' CD2' HG23 ' A' ' 25' ' ' THR . 9.6 mt -76.75 -34.53 58.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -67.2 -25.06 65.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -96.85 -31.99 12.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -103.04 37.73 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.2 t -109.2 -37.57 5.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -81.67 50.68 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -127.45 143.91 49.0 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.603 0.716 . . . . 0.0 110.893 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -39.72 6.14 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.242 . . . . 0.0 112.337 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.6 m -71.28 -12.75 61.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 44.5 mt -110.31 41.75 1.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -46.46 138.29 5.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -125.05 151.42 69.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.719 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -34.49 14.37 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.694 2.263 . . . . 0.0 112.322 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 25.6 mt -48.63 125.49 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 60' ' ' GLY . 5.4 m 61.37 37.9 16.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 59' ' ' SER . . . 33.93 -96.36 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.432 ' N ' ' O ' ' A' ' 59' ' ' SER . 53.6 Cg_endo -69.74 103.66 1.19 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.675 2.25 . . . . 0.0 112.324 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.7 m -99.84 33.75 2.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.6 p -81.05 162.82 23.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.519 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 m -107.06 168.74 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.851 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.3 m -125.85 118.24 25.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.3 178.23 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 m -65.82 -62.8 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.845 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 m -54.86 113.88 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.64 166.83 12.28 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.462 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.3 t -163.48 136.77 5.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.365 . . . . 0.0 110.848 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.7 p -116.65 144.21 32.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 0.0 110.883 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 2.59 3.38 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.72 2.28 . . . . 0.0 112.341 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.5 m -57.7 -57.66 11.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.448 ' CD1' HD22 ' A' ' 30' ' ' LEU . 13.6 mt -66.21 -13.22 59.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -92.48 -26.07 18.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.853 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.505 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 1.7 mm-40 -42.3 -58.76 3.25 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.9 Cg_endo -69.73 -39.58 6.39 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.662 2.241 . . . . 0.0 112.358 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.418 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . 80.4 mt -72.78 -13.47 61.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 13' ' ' LEU . 72.5 mt -96.7 -47.27 5.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.56 -19.77 65.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.1 mmt -76.8 -25.84 53.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.95 -28.85 4.06 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -64.13 140.37 97.89 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.642 0.734 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -163.81 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.347 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.433 HG11 ' CD1' ' A' ' 27' ' ' LEU . 16.5 t -87.31 -56.82 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -50.53 -37.69 40.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.458 HG23 ' CD2' ' A' ' 45' ' ' LEU . 89.2 m -74.31 -55.43 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.431 ' HB1' ' CD1' ' A' ' 13' ' ' LEU . . . -53.04 -33.26 51.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.433 ' CD1' HG11 ' A' ' 23' ' ' VAL . 11.2 mt -69.66 -45.99 67.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm -53.44 -49.96 66.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.23 -40.63 96.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.448 HD22 ' CD1' ' A' ' 12' ' ' LEU . 22.6 mt -59.11 -57.55 12.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.91 -31.66 72.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.433 ' HB3' ' NE1' ' A' ' 44' ' ' TRP . . . -66.86 -48.9 67.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 73.2 p -69.92 -47.22 63.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.95 37.21 0.51 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.455 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 43.21 41.19 2.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.378 . . . . 0.0 110.927 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -78.4 -72.5 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.3 t -148.5 158.17 43.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.171 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.92 -38.15 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 42' ' ' LEU . 2.3 tp10 -61.92 -53.8 50.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -40.59 -42.78 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.68 85.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.5 mm? -63.14 -36.9 85.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.41 -24.87 63.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.792 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 21.7 t90 -90.72 -26.71 19.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.458 ' CD2' HG23 ' A' ' 25' ' ' THR . 36.2 mt -78.77 -34.96 45.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -74.54 -15.2 60.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.45 -27.46 13.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.792 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 16.9 m-70 -94.09 -47.73 6.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.416 ' C ' ' O ' ' A' ' 48' ' ' HIS . 2.6 t -36.17 -40.27 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.419 ' CG ' ' N ' ' A' ' 51' ' ' ASP . 4.5 p-10 -39.8 -48.86 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.424 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 4.7 t70 -58.74 141.16 85.22 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.566 0.698 . . . . 0.0 110.891 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 51' ' ' ASP . 53.2 Cg_endo -69.76 -32.27 18.9 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 73.5 m -58.49 -13.33 5.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.43 ' CD1' ' HB3' ' A' ' 48' ' ' HIS . 24.1 mt -116.54 82.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -80.57 164.8 22.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -139.38 148.31 56.14 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.717 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -10.75 29.3 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.694 2.263 . . . . 0.0 112.354 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 77.6 mt -81.18 148.85 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 m -108.49 -49.0 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.68 -158.68 37.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -34.2 14.93 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.714 2.276 . . . . 0.0 112.308 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.7 t -98.0 157.98 15.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.7 t -129.32 -55.89 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.48 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -133.69 152.32 51.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.908 0.385 . . . . 0.0 110.886 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -55.8 127.52 30.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.12 -101.3 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.497 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 t -150.31 124.59 9.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.387 . . . . 0.0 110.83 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.5 m -99.14 92.51 5.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.827 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.39 -45.43 1.34 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 82.5 p -78.17 124.85 28.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 110.87 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.2 t -145.73 142.84 18.44 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.66 0.743 . . . . 0.0 110.831 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 96.23 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.715 2.277 . . . . 0.0 112.34 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 t -123.79 -65.33 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.465 HD11 ' CZ ' ' A' ' 35' ' ' ARG . 10.4 mt -74.75 -28.51 60.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.945 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 17' ' ' LEU . 4.1 mm? -75.07 -32.56 61.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.511 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 1.7 mm-40 -42.65 -58.77 3.43 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.664 0.745 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.3 Cg_endo -69.76 -39.45 6.5 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.316 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.459 ' CD1' ' HG ' ' A' ' 30' ' ' LEU . 87.9 mt -72.8 -13.85 61.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 13' ' ' LEU . 72.2 mt -96.25 -47.34 6.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.92 -19.16 63.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.1 mmt -76.06 -25.36 55.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.09 -24.45 5.07 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -69.01 139.7 90.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.643 0.735 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -163.77 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.26 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.418 ' CG1' HD12 ' A' ' 27' ' ' LEU . 25.1 t -87.07 -59.58 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.5 -37.08 7.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.467 ' CG2' HD23 ' A' ' 45' ' ' LEU . 53.8 m -75.34 -58.33 3.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.0 -34.56 13.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.418 HD12 ' CG1' ' A' ' 23' ' ' VAL . 10.5 mt -67.88 -44.36 77.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -58.12 -50.39 73.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.24 -39.12 91.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.459 ' HG ' ' CD1' ' A' ' 16' ' ' LEU . 19.4 mt -65.35 -62.8 1.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.69 -21.49 40.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.17 -53.28 7.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 60.2 p -69.58 -12.04 61.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 91.65 41.8 4.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.465 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 12.0 mmm180 35.1 54.89 0.76 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 110.903 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -89.89 -67.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' ALA . 7.1 t -155.83 141.04 17.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' THR . . . -34.0 -52.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.108 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -46.51 -57.42 4.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.866 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -41.14 -40.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.38 -37.28 85.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.065 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.2 mm? -65.61 -36.52 83.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.24 -23.6 62.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -90.42 -32.65 16.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.467 HD23 ' CG2' ' A' ' 25' ' ' THR . 37.7 mt -72.48 -40.7 66.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -66.96 -11.89 57.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.83 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.7 -29.37 7.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -110.83 42.59 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.0 p -100.75 -41.01 7.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -103.06 91.05 3.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -144.0 143.92 24.56 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.596 0.712 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -5.18 15.57 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.1 t -110.81 -11.46 14.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.4 mt -109.36 -44.93 3.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 48.96 38.06 11.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.423 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 4.6 t70 -40.48 141.16 0.91 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.639 0.733 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.8 Cg_endo -69.75 -32.12 19.24 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.352 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.8 mm -57.65 -43.45 83.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.1 t -39.39 -54.82 1.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.48 83.42 1.73 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 168.57 21.26 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.346 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.5 m -87.39 -49.21 7.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.9 p -89.05 -53.39 4.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.455 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.9 t -66.35 124.18 22.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.888 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.9 t -125.53 116.96 22.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.98 -159.93 32.68 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 m -85.58 42.96 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.897 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.0 p -85.37 130.69 34.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.819 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.59 -139.11 9.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.435 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.0 p -146.02 142.42 28.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.901 0.381 . . . . 0.0 110.882 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -90.64 146.46 34.23 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.641 0.734 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 13' ' ' LEU . 53.8 Cg_endo -69.77 0.45 5.64 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.649 2.232 . . . . 0.0 112.375 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.5 m -40.63 -54.48 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.6 mt -72.92 -23.86 60.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.4 mm? -74.65 -28.06 60.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.503 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 10.8 mt-10 -41.87 -58.57 3.16 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.607 0.718 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.5 Cg_endo -69.78 -39.86 5.98 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.319 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.414 ' CD2' ' HB1' ' A' ' 41' ' ' ALA . 91.2 mt -72.53 -13.4 61.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 13' ' ' LEU . 75.3 mt -96.31 -45.84 6.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.0 -23.71 67.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmt -72.54 -25.37 61.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.35 -25.77 5.07 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -68.62 138.76 91.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.442 ' HD3' ' CG ' ' A' ' 57' ' ' PRO . 53.3 Cg_endo -69.83 -163.8 0.12 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.467 ' CG1' HD12 ' A' ' 27' ' ' LEU . 24.9 t -86.78 -59.88 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -45.07 -34.25 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.47 ' CG2' HD21 ' A' ' 45' ' ' LEU . 8.7 m -77.45 -60.97 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.47 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . . . -47.2 -33.18 5.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.467 HD12 ' CG1' ' A' ' 23' ' ' VAL . 12.3 mt -69.11 -42.39 76.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm -58.53 -49.99 75.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.39 93.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.69 -54.05 45.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.82 -34.61 76.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.111 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.91 -51.8 43.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 78.8 p -65.07 -48.6 73.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 126.16 38.96 0.44 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 34' ' ' GLY . 25.9 mtt-85 36.02 42.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.349 . . . . 0.0 110.875 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -84.37 -63.0 1.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -146.65 152.08 38.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.84 -39.42 65.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.069 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -57.73 -51.4 69.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -39.45 -46.99 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.414 ' HB1' ' CD2' ' A' ' 16' ' ' LEU . . . -54.57 -43.98 72.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.51 -39.72 84.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.53 -26.91 66.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.064 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.741 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 59.1 t90 -88.37 -26.89 21.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.47 HD21 ' CG2' ' A' ' 25' ' ' THR . 10.9 mt -79.37 -34.07 42.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -68.9 -21.08 64.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -98.13 -32.63 11.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.741 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 10.8 m-70 -86.06 -50.34 7.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' HIS . 11.7 t -34.39 -38.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -81.38 70.96 8.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -146.77 154.28 47.48 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.565 0.697 . . . . 0.0 110.884 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -29.99 23.03 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.335 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.7 m -110.01 76.23 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 48' ' ' HIS . 12.0 mt -159.2 105.99 1.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -91.73 118.73 30.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.1 p30 -150.53 154.0 34.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.565 0.698 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.442 ' CG ' ' HD3' ' A' ' 22' ' ' PRO . 53.7 Cg_endo -69.77 -11.17 30.27 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.362 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 49.9 mm -50.54 97.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 m -138.54 119.47 14.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.06 83.42 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.454 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -176.16 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.0 p -93.13 106.95 18.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 62.3 p -157.91 138.46 12.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.537 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 m -142.26 161.75 37.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.367 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 p -172.36 172.64 4.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.43 -176.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -51.1 170.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -63.83 143.69 57.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.47 -147.37 14.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.3 p -148.45 112.23 5.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.36 . . . . 0.0 110.836 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -101.07 144.17 28.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.669 0.747 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 1.95 3.97 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.264 . . . . 0.0 112.335 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -52.97 -50.64 63.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.825 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.6 mt -72.85 -24.68 60.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 17' ' ' LEU . 2.4 mm? -80.45 -25.59 38.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.504 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 2.4 mm-40 -42.14 -58.69 3.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.651 0.738 . . . . 0.0 110.865 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.7 Cg_endo -69.76 -39.59 6.33 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 75.0 mt -72.83 -13.37 61.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 13' ' ' LEU . 74.7 mt -96.55 -46.6 6.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.43 -21.83 66.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmt -74.97 -25.23 58.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.77 -31.42 3.37 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.495 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -63.76 139.68 97.67 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.622 0.725 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -163.76 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.731 2.287 . . . . 0.0 112.327 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.44 HG12 ' CD1' ' A' ' 27' ' ' LEU . 16.9 t -85.95 -59.27 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -47.6 -38.57 14.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.465 ' CG2' HD22 ' A' ' 45' ' ' LEU . 52.7 m -72.81 -56.94 4.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.469 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . . . -51.25 -34.2 31.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.44 ' CD1' HG12 ' A' ' 23' ' ' VAL . 10.1 mt -68.45 -45.41 72.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -54.94 -50.0 69.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.53 -44.16 97.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.8 mt -59.56 -53.02 62.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.61 -37.7 82.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.71 -61.43 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.0 p -55.73 -52.89 62.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 130.58 43.96 0.18 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' GLY . 0.9 OUTLIER 36.7 38.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.352 . . . . 0.0 110.825 -179.849 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -77.25 -66.44 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.2 168.33 23.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.25 -34.68 78.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 42' ' ' LEU . 2.2 tp10 -63.49 -54.16 40.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -40.14 -42.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.01 85.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.2 mm? -62.65 -38.06 88.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.6 -24.46 63.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.061 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.641 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 30.1 t90 -90.54 -26.4 19.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.465 HD22 ' CG2' ' A' ' 25' ' ' THR . 22.5 mt -79.84 -34.2 39.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -74.55 -12.9 60.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -105.88 -21.14 13.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.641 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 16.3 m-70 -99.13 -46.63 5.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.1 t -39.7 -52.43 2.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -43.73 -40.21 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.416 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 4.5 t70 -46.38 141.15 5.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 110.843 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 51' ' ' ASP . 53.8 Cg_endo -69.79 -17.39 37.47 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.704 2.269 . . . . 0.0 112.347 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -81.99 -12.82 58.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 48' ' ' HIS . 28.8 mt -122.1 87.09 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -91.71 127.85 37.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -100.94 143.93 27.55 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.632 0.73 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -27.7 25.92 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.692 2.262 . . . . 0.0 112.307 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 75.2 mt -43.53 143.84 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.7 m -113.3 117.88 33.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.38 -67.81 0.26 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -30.47 22.5 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.716 2.277 . . . . 0.0 112.331 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.7 t -92.57 152.83 19.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 t -67.64 113.93 5.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.824 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.6 p -101.49 89.15 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.814 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 m -97.26 153.45 18.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.76 179.11 1.51 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.2 p -149.29 105.36 3.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.89 0.376 . . . . 0.0 110.815 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 m -116.67 160.44 20.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.02 -138.74 1.64 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.0 m -93.78 90.83 6.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.904 0.383 . . . . 0.0 110.839 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p -130.92 144.75 54.8 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.662 0.744 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 104.89 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -129.85 -55.83 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.447 ' CD2' HD22 ' A' ' 30' ' ' LEU . 10.8 mp -79.17 -31.09 43.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.5 mm? -72.68 -31.28 64.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.515 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 1.5 mm-40 -42.05 -58.47 3.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.719 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.9 Cg_endo -69.77 -39.56 6.34 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.449 ' CD2' ' CD2' ' A' ' 42' ' ' LEU . 97.4 mt -72.96 -13.27 61.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' LEU . 78.4 mt -97.35 -48.98 5.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.95 -18.35 63.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.068 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.417 ' CG ' ' O ' ' A' ' 15' ' ' PRO . 4.4 mmm -76.82 -24.47 52.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.11 -31.61 3.13 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -65.27 138.58 97.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.668 0.747 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -163.65 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.358 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.446 ' CG1' HD13 ' A' ' 27' ' ' LEU . 19.7 t -84.67 -55.32 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.181 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.45 -35.4 60.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.9 m -73.7 -54.05 8.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.97 -35.66 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.446 HD13 ' CG1' ' A' ' 23' ' ' VAL . 12.1 mt -67.92 -36.05 79.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -57.3 -56.93 15.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.98 -37.42 84.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.067 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.447 HD22 ' CD2' ' A' ' 12' ' ' LEU . 41.1 mt -59.87 -56.3 23.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.48 -34.85 78.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.03 -51.09 61.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.3 p -70.54 -59.11 3.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.14 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 138.93 43.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.525 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 34' ' ' GLY . 75.6 mtp85 34.77 45.09 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.352 . . . . 0.0 110.881 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -83.84 -52.05 6.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.42 HG21 ' CD ' ' A' ' 40' ' ' GLU . 2.4 t -173.76 150.59 1.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.471 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -42.15 -57.54 2.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.042 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -38.84 -60.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.42 ' CD ' HG21 ' A' ' 37' ' ' THR . 0.3 OUTLIER -42.97 -46.19 5.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.31 -45.71 87.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 42' ' ' LEU . 3.6 mm? -56.19 -35.82 67.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.5 -30.28 68.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.665 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 21.9 t90 -84.44 -24.8 29.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.9 mt -83.34 -32.7 26.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -72.57 -21.47 61.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -97.8 -30.15 12.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.665 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 9.0 m-70 -85.58 -49.19 8.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.6 t -38.21 -38.22 0.33 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -74.23 73.41 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -169.13 145.18 2.78 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.58 0.705 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -35.61 12.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.304 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.3 m -63.25 -14.63 51.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.3 mt -113.3 78.52 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -63.32 148.04 49.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.422 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 10.3 t70 -167.43 139.73 2.68 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.613 0.72 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.9 Cg_endo -69.78 -46.21 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.382 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.3 mt -45.85 -56.35 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.7 m -38.41 106.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -95.2 -94.18 1.71 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.465 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 92.0 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.685 2.257 . . . . 0.0 112.311 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.6 p -108.36 157.75 18.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 97.5 p -47.12 112.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.468 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 m -41.03 -51.7 3.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.869 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -42.42 -52.71 4.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.42 147.7 6.54 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.3 m -112.65 176.26 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.827 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 t -122.37 149.93 43.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.64 168.03 39.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.531 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 76.3 p -154.13 124.27 6.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.878 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -54.59 158.59 4.09 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 110.873 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 97.38 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.646 2.231 . . . . 0.0 112.335 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 t -124.03 -61.25 1.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mt -72.06 -34.56 68.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.2 mm? -72.84 -31.85 65.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.515 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 6.0 mm-40 -42.35 -58.48 3.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.0 Cg_endo -69.73 -39.68 6.28 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.706 2.271 . . . . 0.0 112.363 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.0 mt -72.66 -13.72 61.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . 75.1 mt -96.04 -46.87 6.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.24 -19.94 65.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.6 mmm -75.16 -24.02 57.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.23 -24.66 5.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.545 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.67 138.28 90.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.639 0.733 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -163.73 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.718 2.279 . . . . 0.0 112.353 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.457 ' CG1' ' CD1' ' A' ' 27' ' ' LEU . 20.7 t -86.7 -61.09 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.58 -32.75 1.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.468 ' CG2' HD22 ' A' ' 45' ' ' LEU . 9.0 m -78.07 -61.46 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.466 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . . . -47.56 -32.3 5.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.457 ' CD1' ' CG1' ' A' ' 23' ' ' VAL . 13.7 mt -71.58 -37.8 70.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -56.03 -52.25 64.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.1 -45.92 83.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.076 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.9 mt -54.87 -58.17 8.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.38 -33.01 65.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.71 -72.32 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.5 p -44.37 -55.4 5.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.415 ' HA3' ' NZ ' ' A' ' 36' ' ' LYS . . . 135.85 30.55 0.32 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.4 mtt-85 49.37 26.78 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 110.889 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.415 ' NZ ' ' HA3' ' A' ' 34' ' ' GLY . 1.1 mptt -60.89 -57.75 11.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.408 HG23 ' CD ' ' A' ' 40' ' ' GLU . 11.1 t -173.8 164.21 4.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.01 -59.24 3.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.087 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -39.65 -59.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.409 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -44.23 -47.43 9.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.884 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.29 -44.46 84.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.427 HD21 ' N ' ' A' ' 42' ' ' LEU . 3.6 mm? -56.23 -35.32 67.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.51 -32.22 72.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.747 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 69.2 t90 -83.45 -28.92 28.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.468 HD22 ' CG2' ' A' ' 25' ' ' THR . 50.5 mt -76.24 -36.96 58.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -69.39 -22.06 63.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -95.4 -27.03 15.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.747 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 6.5 m-70 -92.32 -58.02 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.791 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 48' ' ' HIS . 13.7 p -35.07 -35.82 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 48' ' ' HIS . 15.2 t-20 -46.65 -51.25 16.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.01 144.0 21.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.624 0.726 . . . . 0.0 110.864 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -17.67 37.33 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.662 2.241 . . . . 0.0 112.349 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -67.76 -15.38 63.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 48' ' ' HIS . 51.9 mt -110.77 82.53 1.61 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -82.99 127.78 33.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -136.19 146.19 55.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -2.96 11.02 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.4 mt -55.64 110.26 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.3 m -72.36 -58.92 3.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -134.39 146.94 18.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 117.0 4.82 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.5 m -135.77 133.02 37.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.3 t -134.28 149.68 50.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.649 ' HB3' HD21 ' A' ' 30' ' ' LEU . 3.6 mm? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.832 0.348 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 17' ' ' LEU . 4.6 mm? -73.46 -32.03 64.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.522 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 10.4 mt-10 -42.44 -58.69 3.39 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.642 0.734 . . . . 0.0 110.84 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.1 Cg_endo -69.73 -39.55 6.44 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.754 HD21 ' HB3' ' A' ' 41' ' ' ALA . 87.8 mt -72.76 -13.76 61.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 13' ' ' LEU . 72.7 mt -95.95 -45.5 6.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.64 -22.04 66.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.5 mmm -74.43 -24.98 59.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.61 -27.99 4.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -64.08 140.76 97.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.636 0.732 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -163.76 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.32 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.656 ' CG1' HD11 ' A' ' 27' ' ' LEU . 17.3 t -88.46 -57.52 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.452 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.41 -37.9 27.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.3 m -74.9 -56.99 4.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.482 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . . . -50.86 -33.01 22.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.656 HD11 ' CG1' ' A' ' 23' ' ' VAL . 12.1 mt -69.88 -42.91 72.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -57.84 -50.74 72.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.416 ' O ' HG23 ' A' ' 33' ' ' THR . . . -60.99 -39.04 88.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.649 HD21 ' HB3' ' A' ' 12' ' ' LEU . 22.9 mt -62.83 -58.08 8.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.82 -28.48 66.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.76 -48.46 31.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 29' ' ' ALA . 58.0 p -73.35 -26.47 61.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.44 34.64 4.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 41.36 44.35 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -80.96 -47.3 13.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.677 HG23 ' H ' ' A' ' 40' ' ' GLU . 8.1 t -171.35 155.09 4.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.59 -49.37 56.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -50.93 -49.6 59.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.677 ' H ' HG23 ' A' ' 37' ' ' THR . 5.6 mm-40 -47.4 -48.59 26.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.754 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -53.16 -43.17 66.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.04 -38.91 84.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.01 -28.92 69.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 39.8 t90 -85.05 -29.32 25.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.6 mt -77.92 -37.92 46.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.918 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.5 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.874 0.368 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.55 ' CD1' ' HB3' ' A' ' 26' ' ' ALA . 3.2 mm? -85.51 -26.42 26.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.522 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 2.9 mm-40 -42.26 -58.84 3.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.602 0.715 . . . . 0.0 110.846 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.0 Cg_endo -69.77 -39.61 6.28 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.617 HD21 ' HB3' ' A' ' 41' ' ' ALA . 91.3 mt -72.79 -13.38 61.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LEU . 73.0 mt -96.76 -48.09 5.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.73 -20.21 65.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.7 mmm -76.24 -25.31 54.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.89 -34.65 2.52 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.521 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -62.27 139.81 96.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.643 0.735 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -163.76 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.658 ' CG1' HD11 ' A' ' 27' ' ' LEU . 15.9 t -87.05 -58.03 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.443 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.43 -38.54 29.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.446 HG22 ' CD2' ' A' ' 45' ' ' LEU . 86.4 m -74.04 -55.88 5.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.55 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . . . -51.32 -34.42 33.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.658 HD11 ' CG1' ' A' ' 23' ' ' VAL . 9.3 mt -69.68 -38.51 77.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -58.42 -53.8 54.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.817 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -59.47 -41.38 89.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.6 mt -61.3 -55.28 33.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.46 -34.87 73.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.63 -58.69 3.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.9 p -56.33 -54.38 46.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 137.76 39.81 0.12 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.451 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 34' ' ' GLY . 1.1 mpp_? 37.13 41.57 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.859 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -81.82 -67.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.82 HG22 ' CD ' ' A' ' 40' ' ' GLU . 9.9 t -156.59 170.68 21.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.141 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.85 -57.83 11.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.075 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -42.07 -58.53 2.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.82 ' CD ' HG22 ' A' ' 37' ' ' THR . 0.5 OUTLIER -42.95 -39.42 2.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.617 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -68.33 -39.61 81.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -59.3 -36.01 74.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.34 -25.84 65.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.079 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.817 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 59.2 t90 -90.48 -25.29 20.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.446 ' CD2' HG22 ' A' ' 25' ' ' THR . 9.4 mt -80.94 -30.72 35.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.837 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.723 HD13 HD22 ' A' ' 30' ' ' LEU . 11.7 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.809 0.338 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 17' ' ' LEU . 4.2 mm? -72.63 -34.06 67.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.516 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 3.3 mm-40 -42.95 -58.82 3.56 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.614 0.721 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.4 Cg_endo -69.76 -39.49 6.44 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.646 2.231 . . . . 0.0 112.348 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.691 HD21 ' HB3' ' A' ' 41' ' ' ALA . 89.7 mt -72.62 -14.11 61.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 13' ' ' LEU . 69.0 mt -95.7 -46.04 6.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.74 -19.98 65.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.2 mmt -76.57 -24.89 53.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.9 -25.82 5.2 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.464 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -66.79 139.62 95.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.623 0.725 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -163.76 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.631 ' CG1' HD11 ' A' ' 27' ' ' LEU . 26.2 t -87.7 -56.86 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.418 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.34 -35.58 28.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.5 m -75.48 -56.88 4.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.76 -35.34 43.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.631 HD11 ' CG1' ' A' ' 23' ' ' VAL . 13.9 mt -67.19 -42.42 84.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -57.82 -50.12 74.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.551 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -62.92 -41.99 99.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.723 HD22 HD13 ' A' ' 12' ' ' LEU . 19.7 mt -57.73 -58.2 9.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.39 -36.74 78.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.3 -52.51 61.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.3 p -67.53 -51.49 50.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 130.91 35.8 0.38 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 34' ' ' GLY . 6.0 mtt-85 35.94 41.51 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.913 0.387 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -83.39 -63.69 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.803 HG23 ' H ' ' A' ' 40' ' ' GLU . 8.8 t -143.35 149.27 37.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.15 -42.98 51.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 42' ' ' LEU . 20.9 tt0 -56.43 -53.91 51.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.803 ' H ' HG23 ' A' ' 37' ' ' THR . 2.2 mm-40 -37.24 -48.43 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.691 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -54.06 -44.25 70.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.7 mm? -60.06 -35.67 75.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.23 -27.12 64.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.551 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 73.1 t90 -86.79 -29.02 22.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.7 mt -77.79 -37.34 49.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.863 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.897 HD23 HD22 ' A' ' 30' ' ' LEU . 10.0 mp . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.803 0.335 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.7 mm? -82.6 -27.81 31.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.528 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 6.0 mt-10 -42.09 -58.75 3.13 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.677 0.751 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.1 Cg_endo -69.79 -39.52 6.36 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.68 HD21 ' HB3' ' A' ' 41' ' ' ALA . 86.4 mt -72.94 -13.22 61.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . 74.9 mt -97.1 -48.26 5.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.93 -19.38 64.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.8 mmm -76.1 -25.05 55.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.13 -29.87 3.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -63.54 139.97 97.69 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.645 0.736 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -163.79 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.722 2.281 . . . . 0.0 112.311 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.651 ' CG1' HD11 ' A' ' 27' ' ' LEU . 22.9 t -87.62 -56.56 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.41 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.8 -36.31 36.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.688 HG22 ' CD2' ' A' ' 45' ' ' LEU . 89.2 m -76.05 -55.77 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.47 -33.48 44.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.651 HD11 ' CG1' ' A' ' 23' ' ' VAL . 13.3 mt -69.31 -45.48 69.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -55.42 -50.22 70.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.87 92.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.897 HD22 HD23 ' A' ' 12' ' ' LEU . 54.2 mt -62.36 -56.13 21.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.71 -33.54 75.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.054 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.2 -49.55 66.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.3 p -68.23 -53.59 23.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.149 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 136.45 37.6 0.17 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 39.27 37.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.878 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -79.64 -63.37 1.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.405 HG23 ' H ' ' A' ' 40' ' ' GLU . 7.9 t -156.72 154.3 29.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.33 -56.04 7.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -39.15 -60.05 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.405 ' H ' HG23 ' A' ' 37' ' ' THR . 2.0 mm-40 -40.9 -47.05 2.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.68 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -53.69 -44.69 69.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.055 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.41 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 3.9 mm? -58.97 -39.27 81.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.48 -25.63 68.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.4 t90 -91.06 -31.08 16.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.688 ' CD2' HG22 ' A' ' 25' ' ' THR . 31.3 mt -72.3 -39.03 68.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.88 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.823 HD23 HD22 ' A' ' 30' ' ' LEU . 10.1 mp . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.9 0.381 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.54 HD22 ' N ' ' A' ' 13' ' ' LEU . 1.1 mm? -83.93 -28.82 27.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.529 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 14.5 mm-40 -41.78 -58.6 3.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.611 0.719 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.4 Cg_endo -69.77 -39.63 6.25 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.7 2.266 . . . . 0.0 112.294 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.601 HD21 ' HB3' ' A' ' 41' ' ' ALA . 78.6 mt -72.95 -13.01 61.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 13' ' ' LEU . 77.7 mt -97.38 -48.13 5.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.0 -18.58 63.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.0 mmm -77.09 -25.62 52.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.77 -31.36 3.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -64.39 139.94 97.84 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -163.81 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.709 2.273 . . . . 0.0 112.367 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.64 ' CG1' HD11 ' A' ' 27' ' ' LEU . 18.2 t -87.32 -56.58 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.408 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.83 -36.77 39.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.523 HG22 HD21 ' A' ' 45' ' ' LEU . 88.8 m -75.58 -55.69 5.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.64 -32.82 43.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.64 HD11 ' CG1' ' A' ' 23' ' ' VAL . 12.1 mt -70.05 -44.51 69.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -55.84 -50.45 70.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.477 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -61.15 -40.81 95.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.823 HD22 HD23 ' A' ' 12' ' ' LEU . 58.5 mt -60.92 -55.97 26.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.16 -34.8 72.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.103 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.73 -60.64 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.08 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.6 p -56.42 -50.33 71.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 133.1 41.38 0.18 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' GLY . 59.4 mtm180 35.81 44.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.854 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -86.74 -60.72 1.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.713 HG22 ' OE2' ' A' ' 40' ' ' GLU . 6.5 t -157.75 179.62 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.419 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -70.91 -50.68 32.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -46.62 -58.2 4.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.713 ' OE2' HG22 ' A' ' 37' ' ' THR . 0.5 OUTLIER -41.21 -43.56 2.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.601 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -62.54 -42.71 99.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.094 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -56.49 -36.04 68.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.39 -28.98 66.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.477 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 58.8 t90 -84.51 -25.83 28.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.523 HD21 HG22 ' A' ' 25' ' ' THR . 28.6 mt -83.3 -34.34 25.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.839 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' LEU . 2.7 mm? -72.16 -31.59 66.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.523 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 9.3 mt-10 -42.63 -58.82 3.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.682 0.753 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.4 Cg_endo -69.78 -39.56 6.33 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.266 . . . . 0.0 112.326 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.498 HD21 ' HB3' ' A' ' 41' ' ' ALA . 80.9 mt -72.69 -13.74 61.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LEU . 70.7 mt -96.19 -46.28 6.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.43 -21.14 66.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.7 mmm -75.64 -27.45 58.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.14 -26.56 3.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.524 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -67.89 139.07 93.06 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.665 0.745 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -163.8 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.634 ' CG1' HD11 ' A' ' 27' ' ' LEU . 25.4 t -88.06 -58.74 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.447 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -48.21 -36.88 14.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.691 HG22 HD21 ' A' ' 45' ' ' LEU . 95.4 m -74.53 -58.66 3.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.01 -36.92 18.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.634 HD11 ' CG1' ' A' ' 23' ' ' VAL . 10.8 mt -65.87 -46.35 78.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -57.12 -50.01 74.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.748 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -64.12 -41.21 97.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.436 ' HG ' ' CD1' ' A' ' 16' ' ' LEU . 17.9 mt -59.82 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.42 -30.22 18.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.067 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.49 -43.98 75.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 35' ' ' ARG . 22.3 p -96.78 53.46 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 44.55 20.7 0.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' GLY . 6.0 ptt180 34.51 46.7 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 0.0 110.829 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -75.41 -59.4 2.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.64 HG22 ' OE2' ' A' ' 40' ' ' GLU . 14.6 t -147.26 159.18 43.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.2 -53.32 21.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -40.91 -60.55 1.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.64 ' OE2' HG22 ' A' ' 37' ' ' THR . 0.4 OUTLIER -43.0 -47.39 5.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.498 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -55.33 -46.22 76.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.44 -40.25 71.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.16 -23.67 67.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.748 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 57.7 t90 -91.52 -30.01 16.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.691 HD21 HG22 ' A' ' 25' ' ' THR . 27.5 mt -73.59 -37.71 65.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 179.867 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.003 HD23 HD22 ' A' ' 30' ' ' LEU . 10.3 mp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.805 0.336 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 17' ' ' LEU . 2.5 mm? -83.86 -28.43 28.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.525 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 3.8 mm-40 -42.3 -58.79 3.22 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.696 0.76 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.568 ' CG ' ' HB2' ' A' ' 38' ' ' ALA . 53.8 Cg_endo -69.82 -39.35 6.49 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.674 HD21 ' HB3' ' A' ' 41' ' ' ALA . 82.1 mt -72.96 -13.46 61.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' LEU . 73.6 mt -96.72 -46.67 6.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.28 -23.66 67.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.2 mmm -72.26 -25.71 61.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.83 -33.01 2.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.15 140.13 94.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.701 0.763 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -163.74 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.262 . . . . 0.0 112.329 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.677 ' CG1' HD11 ' A' ' 27' ' ' LEU . 17.4 t -87.43 -56.38 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.428 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.98 -37.3 43.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.655 HG22 ' CD2' ' A' ' 45' ' ' LEU . 89.2 m -74.83 -55.93 5.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.74 -32.93 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.677 HD11 ' CG1' ' A' ' 23' ' ' VAL . 13.5 mt -70.1 -45.54 66.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -55.29 -50.47 69.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.87 -43.17 90.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.124 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 1.003 HD22 HD23 ' A' ' 12' ' ' LEU . 33.5 mt -63.05 -53.79 48.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.13 -33.34 69.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.78 -58.11 4.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.402 HG21 ' C ' ' A' ' 40' ' ' GLU . 72.5 p -57.61 -51.59 68.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.19 34.12 0.21 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.1 mtt85 43.42 44.27 4.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.868 0.365 . . . . 0.0 110.899 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -84.53 -62.44 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.458 HG22 ' CD ' ' A' ' 40' ' ' GLU . 13.7 t -164.37 162.32 22.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.568 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -45.84 -62.12 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 38' ' ' ALA . 40.8 mt-10 -35.1 -61.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.458 ' CD ' HG22 ' A' ' 37' ' ' THR . 0.6 OUTLIER -43.29 -47.81 6.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.674 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -55.28 -44.71 75.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.526 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 4.2 mm? -57.36 -40.17 77.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.12 -27.69 69.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.5 t90 -88.07 -29.29 20.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.655 ' CD2' HG22 ' A' ' 25' ' ' THR . 37.2 mt -74.95 -37.6 61.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.866 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.609 HD12 ' CD2' ' A' ' 30' ' ' LEU . 4.5 mm? . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.841 0.353 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.528 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.1 mm? -102.89 -27.32 12.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.976 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.523 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 3.1 mm-40 -42.59 -58.91 3.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.694 ' CG ' ' HB2' ' A' ' 38' ' ' ALA . 53.9 Cg_endo -69.73 -39.54 6.43 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.604 HD21 ' HB3' ' A' ' 41' ' ' ALA . 87.4 mt -72.73 -13.75 61.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 13' ' ' LEU . 70.4 mt -96.21 -46.95 6.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.71 -18.6 64.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 22.0 mmm -77.94 -24.84 48.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.08 -34.28 2.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -58.47 139.56 85.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.689 0.757 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.256 . . . . 0.0 112.338 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.634 ' CG1' HD11 ' A' ' 27' ' ' LEU . 17.4 t -89.1 -54.46 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -50.81 -33.63 24.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.6 ' CG2' HD22 ' A' ' 45' ' ' LEU . 49.8 m -78.92 -57.91 3.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.466 ' HB3' HD12 ' A' ' 13' ' ' LEU . . . -50.61 -30.9 14.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.634 HD11 ' CG1' ' A' ' 23' ' ' VAL . 15.9 mt -72.34 -42.45 65.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -56.75 -50.49 72.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.412 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -63.02 -44.37 96.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.609 ' CD2' HD12 ' A' ' 12' ' ' LEU . 47.8 mt -57.23 -59.19 5.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.96 -32.92 64.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.9 -63.26 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.7 p -56.01 -71.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 36' ' ' LYS . . . 158.07 35.96 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.406 ' N ' ' HD3' ' A' ' 35' ' ' ARG . 2.1 mpp_? 39.22 30.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -71.26 -59.59 2.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.478 HG22 ' CD ' ' A' ' 40' ' ' GLU . 6.2 t -159.93 179.87 8.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.694 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -68.82 -53.79 19.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -43.77 -58.83 2.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.478 ' CD ' HG22 ' A' ' 37' ' ' THR . 0.5 OUTLIER -47.03 -38.96 11.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.604 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -70.38 -36.19 73.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.471 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 3.7 mm? -62.44 -35.69 80.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.42 -27.51 66.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.472 ' C ' ' CE3' ' A' ' 44' ' ' TRP . 9.0 t90 -87.97 -29.61 20.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.6 HD22 ' CG2' ' A' ' 25' ' ' THR . 41.6 mt -75.5 -37.32 60.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.953 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.84 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.481 ' HB3' HD21 ' A' ' 30' ' ' LEU . 12.8 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.823 0.344 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.9 mm? -73.03 -31.67 64.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.521 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 3.4 mm-40 -42.69 -58.83 3.4 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.635 0.731 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.9 Cg_endo -69.79 -39.46 6.42 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.348 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.661 HD21 ' HB3' ' A' ' 41' ' ' ALA . 86.1 mt -72.68 -13.95 61.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 13' ' ' LEU . 70.3 mt -96.1 -46.79 6.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.46 -19.2 64.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.8 mmm -77.48 -26.75 51.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.2 -27.27 4.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -66.09 140.62 97.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.667 0.746 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -163.74 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.657 2.238 . . . . 0.0 112.332 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.646 ' CG1' HD11 ' A' ' 27' ' ' LEU . 18.9 t -88.95 -57.18 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.419 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.49 -37.11 25.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.666 HG22 ' CD2' ' A' ' 45' ' ' LEU . 86.1 m -75.3 -57.3 3.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.95 -32.97 22.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.646 HD11 ' CG1' ' A' ' 23' ' ' VAL . 13.7 mt -69.83 -44.87 69.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm -55.67 -50.37 70.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.506 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -61.84 -42.37 98.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.481 HD21 ' HB3' ' A' ' 12' ' ' LEU . 29.7 mt -59.61 -54.59 44.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.38 -33.84 73.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.28 -54.19 19.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 74.0 p -61.66 -47.67 84.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.64 40.2 0.36 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.5 mtt-85 39.75 35.88 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -76.41 -65.84 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.493 HG23 ' H ' ' A' ' 40' ' ' GLU . 11.8 t -157.8 167.16 30.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.157 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.77 -55.08 39.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -42.03 -50.88 4.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.493 ' H ' HG23 ' A' ' 37' ' ' THR . 3.0 mm-40 -50.6 -48.74 57.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.661 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -54.12 -40.4 67.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.64 -39.02 89.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.5 -23.76 66.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.506 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 51.7 t90 -91.7 -29.36 16.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.666 ' CD2' HG22 ' A' ' 25' ' ' THR . 21.0 mt -76.17 -37.51 57.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.867 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.887 HD23 HD22 ' A' ' 30' ' ' LEU . 10.6 mp . . . . . 0 C--O 1.233 0.184 0 CA-C-O 120.896 0.379 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' LEU . 2.1 mm? -85.68 -29.58 23.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 12.4 mt-10 -42.76 -58.74 3.53 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.632 0.73 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.609 ' HG2' ' HB2' ' A' ' 38' ' ' ALA . 53.9 Cg_endo -69.77 -39.3 6.64 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.231 . . . . 0.0 112.393 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.639 HD21 ' HB3' ' A' ' 41' ' ' ALA . 86.2 mt -72.85 -13.88 61.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LEU . 71.9 mt -96.2 -46.19 6.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.23 -21.19 66.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.0 mmm -74.71 -23.87 58.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.79 -27.7 4.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -66.15 139.27 96.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.625 0.726 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -163.71 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.242 . . . . 0.0 112.377 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.662 ' CG1' HD11 ' A' ' 27' ' ' LEU . 24.7 t -88.09 -58.19 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.084 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.91 -31.06 6.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.544 HG22 ' CD2' ' A' ' 45' ' ' LEU . 51.4 m -78.83 -60.33 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.403 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . . . -49.29 -34.51 15.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.117 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.662 HD11 ' CG1' ' A' ' 23' ' ' VAL . 15.0 mt -68.12 -41.87 81.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -59.55 -50.51 73.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.825 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -64.77 -36.96 86.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.086 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.887 HD22 HD23 ' A' ' 12' ' ' LEU . 33.0 mt -65.89 -57.95 6.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.68 -26.7 62.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.74 -52.01 9.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.075 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.7 p -62.97 -44.12 96.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.135 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.22 33.42 0.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 65.7 mtt85 38.4 39.88 0.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.8 mttp -82.2 -61.07 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.405 HG22 ' OE2' ' A' ' 40' ' ' GLU . 9.0 t -163.18 147.23 10.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.609 ' HB2' ' HG2' ' A' ' 15' ' ' PRO . . . -37.82 -57.48 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 38' ' ' ALA . 53.6 mt-10 -34.54 -62.84 0.33 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.405 ' OE2' HG22 ' A' ' 37' ' ' THR . 0.5 OUTLIER -42.37 -46.73 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.639 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -55.87 -45.0 78.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.049 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.439 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 4.1 mm? -56.82 -39.43 74.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.05 -20.87 65.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.825 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 36.1 t90 -95.4 -27.39 15.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.544 ' CD2' HG22 ' A' ' 25' ' ' THR . 9.5 mt -78.49 -33.67 47.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.835 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.606 HD12 ' NH2' ' A' ' 35' ' ' ARG . 15.6 mt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.852 0.358 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.0 mm? -77.92 -29.66 50.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.517 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 6.9 mm-40 -42.17 -58.77 3.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.647 0.737 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.9 Cg_endo -69.77 -39.45 6.47 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.808 HD21 ' HB3' ' A' ' 41' ' ' ALA . 91.4 mt -72.87 -13.52 61.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' LEU . 74.6 mt -96.4 -46.51 6.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.77 -19.82 65.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmt -76.25 -24.58 54.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.09 -26.25 5.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.516 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -66.85 140.37 96.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.671 0.748 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.638 ' CG1' HD11 ' A' ' 27' ' ' LEU . 24.1 t -86.34 -57.84 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.46 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -50.0 -34.69 21.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.1 m -75.57 -56.4 4.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.477 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . . . -52.31 -35.6 50.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.638 HD11 ' CG1' ' A' ' 23' ' ' VAL . 11.5 mt -67.06 -45.95 75.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -56.97 -50.37 72.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.459 ' HA ' ' CE3' ' A' ' 44' ' ' TRP . . . -61.1 -40.29 93.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.409 ' HG ' ' CD1' ' A' ' 16' ' ' LEU . 31.4 mt -62.96 -58.91 5.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.46 -30.82 61.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.7 -53.38 28.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.431 HG21 ' C ' ' A' ' 40' ' ' GLU . 43.7 p -69.99 -23.32 63.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.35 43.43 2.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.606 ' NH2' HD12 ' A' ' 12' ' ' LEU . 64.3 mtp85 38.55 45.37 0.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 110.906 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -79.73 -65.13 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.778 HG23 ' H ' ' A' ' 40' ' ' GLU . 6.1 t -152.33 158.96 43.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.64 -42.94 68.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 42' ' ' LEU . 9.6 tp10 -59.59 -52.65 64.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.778 ' H ' HG23 ' A' ' 37' ' ' THR . 2.2 mm-40 -38.65 -44.74 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.808 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -57.69 -41.06 80.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.3 mm? -62.62 -36.27 82.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.49 -25.97 64.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.094 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.459 ' CE3' ' HA ' ' A' ' 29' ' ' ALA . 70.0 t90 -87.32 -29.65 21.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.7 mt -77.56 -37.93 49.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.863 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.827 HD23 HD22 ' A' ' 30' ' ' LEU . 9.9 mp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.849 0.357 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.4 mm? -80.44 -25.56 38.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.528 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 12.6 mt-10 -43.61 -58.47 4.43 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.703 0.764 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.5 Cg_endo -69.79 -37.52 8.98 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.235 . . . . 0.0 112.327 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.672 HD21 ' HB3' ' A' ' 41' ' ' ALA . 94.0 mt -74.96 -13.75 60.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 13' ' ' LEU . 74.7 mt -96.78 -47.26 5.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.47 -24.26 67.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.421 ' CG ' ' O ' ' A' ' 15' ' ' PRO . 2.2 mmt -71.53 -26.2 62.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.63 -33.73 2.8 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -60.48 139.17 92.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.671 0.748 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -163.82 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.645 ' CG1' HD11 ' A' ' 27' ' ' LEU . 23.6 t -85.54 -57.11 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.417 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -51.22 -35.68 37.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.438 HG22 ' CD2' ' A' ' 45' ' ' LEU . 99.5 m -75.87 -54.36 7.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.34 -34.04 60.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.645 HD11 ' CG1' ' A' ' 23' ' ' VAL . 12.1 mt -68.73 -42.62 77.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -57.54 -50.29 73.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.94 -42.29 93.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.827 HD22 HD23 ' A' ' 12' ' ' LEU . 62.0 mt -62.76 -54.69 35.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.16 -33.76 73.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.63 -53.72 14.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.421 HG21 ' C ' ' A' ' 40' ' ' GLU . 55.7 p -60.0 -50.93 71.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.12 33.09 0.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.433 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.457 ' HD3' ' N ' ' A' ' 35' ' ' ARG . 1.3 mpp_? 41.7 38.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.366 . . . . 0.0 110.877 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -82.58 -69.51 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.419 HG23 ' H ' ' A' ' 40' ' ' GLU . 0.8 OUTLIER -141.06 157.76 44.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.15 -43.62 82.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.084 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 42' ' ' LEU . 24.5 tt0 -53.17 -56.79 13.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.421 ' C ' HG21 ' A' ' 33' ' ' THR . 5.0 mm-40 -38.14 -45.21 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.672 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -56.08 -42.72 77.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.1 mm? -60.65 -38.83 86.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.92 -25.31 67.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -90.28 -27.76 19.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.438 ' CD2' HG22 ' A' ' 25' ' ' THR . 70.2 mt -78.42 -36.14 46.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.86 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.449 HD12 ' CD2' ' A' ' 30' ' ' LEU . 4.1 mm? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.864 0.364 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.4 mm? -97.39 -26.69 14.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.514 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 7.2 mt-10 -42.28 -58.87 3.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.668 0.747 . . . . 0.0 110.9 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.5 Cg_endo -69.78 -39.52 6.36 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.63 2.22 . . . . 0.0 112.365 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.712 HD21 ' HB3' ' A' ' 41' ' ' ALA . 85.6 mt -72.82 -13.46 61.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . 72.3 mt -96.57 -46.73 6.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.4 -21.57 66.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmt -74.33 -25.39 59.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.14 -26.31 4.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.433 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -68.7 138.83 90.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.664 0.745 . . . . 0.0 110.91 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -163.7 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.648 2.232 . . . . 0.0 112.337 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.645 ' CG1' HD11 ' A' ' 27' ' ' LEU . 22.7 t -86.6 -58.14 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.45 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -48.4 -33.33 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.0 m -77.55 -58.81 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.45 -34.49 16.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.645 HD11 ' CG1' ' A' ' 23' ' ' VAL . 10.5 mt -67.83 -41.28 83.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -59.16 -50.2 74.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.538 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -66.95 -39.28 87.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.449 ' CD2' HD12 ' A' ' 12' ' ' LEU . 15.5 mt -55.89 -63.08 1.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.38 -35.89 70.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.417 ' HB1' ' CD1' ' A' ' 44' ' ' TRP . . . -58.01 -49.2 77.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.072 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.461 HG21 ' C ' ' A' ' 40' ' ' GLU . 72.2 p -76.57 -34.0 58.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 111.08 40.9 1.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.459 ' CD ' ' N ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER 36.17 44.06 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 110.907 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -82.54 -60.89 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -153.9 136.83 15.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 37' ' ' THR . . . -37.0 -45.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.084 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -52.39 -54.93 25.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.461 ' C ' HG21 ' A' ' 33' ' ' THR . 2.1 mm-40 -40.29 -44.75 1.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.712 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -56.81 -41.94 78.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.126 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.45 -38.14 86.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.09 -28.15 67.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.538 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 36.8 t90 -84.51 -29.78 25.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.474 HD23 ' HZ3' ' A' ' 44' ' ' TRP . 76.7 mt -77.01 -37.74 54.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.922 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.7 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.798 0.332 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.8 mm? -73.27 -34.42 65.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 4.2 mm-40 -42.12 -58.57 3.31 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.618 0.723 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.0 Cg_endo -69.73 -39.7 6.26 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.639 HD21 ' HB3' ' A' ' 41' ' ' ALA . 94.3 mt -72.77 -13.46 61.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LEU . 75.7 mt -96.43 -47.13 6.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.66 -18.71 64.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.2 mmm -77.27 -26.08 52.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.24 -25.9 4.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -68.85 138.34 90.36 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.63 0.729 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -163.81 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.728 2.285 . . . . 0.0 112.373 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.625 ' CG1' HD11 ' A' ' 27' ' ' LEU . 23.3 t -86.06 -57.69 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.484 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.86 -36.02 25.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.474 HG22 ' CD2' ' A' ' 45' ' ' LEU . 54.2 m -73.67 -57.28 4.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.39 -37.85 50.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.625 HD11 ' CG1' ' A' ' 23' ' ' VAL . 11.6 mt -64.16 -42.2 96.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.9 mtmm -60.63 -49.99 75.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.447 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -64.18 -37.92 89.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.421 HD11 HD12 ' A' ' 16' ' ' LEU . 30.1 mt -65.95 -60.4 2.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.5 -25.83 60.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.17 -39.5 33.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.428 HG21 ' O ' ' A' ' 40' ' ' GLU . 57.6 p -83.02 0.83 43.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 80.05 42.77 10.44 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 34' ' ' GLY . 1.3 mpp_? 34.8 48.7 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -80.15 -63.97 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.68 HG22 ' OE2' ' A' ' 40' ' ' GLU . 8.9 t -169.63 166.04 10.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.438 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -49.11 -59.39 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -42.14 -57.71 2.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.68 ' OE2' HG22 ' A' ' 37' ' ' THR . 0.3 OUTLIER -46.06 -43.3 14.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.639 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -61.47 -40.83 95.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.568 ' HA ' HD12 ' A' ' 45' ' ' LEU . 3.7 mm? -59.15 -39.22 81.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.21 -23.81 67.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.095 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.447 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 46.3 t90 -93.47 -26.71 17.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.568 HD12 ' HA ' ' A' ' 42' ' ' LEU . 9.6 mt -76.75 -34.53 58.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.881 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.856 HD13 HD22 ' A' ' 30' ' ' LEU . 13.6 mt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.801 0.334 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -92.48 -26.07 18.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.853 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.519 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 1.7 mm-40 -42.3 -58.76 3.25 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.9 Cg_endo -69.73 -39.58 6.39 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.662 2.241 . . . . 0.0 112.358 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.662 HD21 ' HB3' ' A' ' 41' ' ' ALA . 80.4 mt -72.78 -13.47 61.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 13' ' ' LEU . 72.5 mt -96.7 -47.27 5.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.56 -19.77 65.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.1 mmt -76.8 -25.84 53.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.95 -28.85 4.06 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -64.13 140.37 97.89 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.642 0.734 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -163.81 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.347 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.663 ' CG1' HD11 ' A' ' 27' ' ' LEU . 16.5 t -87.31 -56.82 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.431 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.53 -37.69 40.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.591 HG22 ' CD2' ' A' ' 45' ' ' LEU . 89.2 m -74.31 -55.43 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.04 -33.26 51.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.663 HD11 ' CG1' ' A' ' 23' ' ' VAL . 11.2 mt -69.66 -45.99 67.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm -53.44 -49.96 66.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.23 -40.63 96.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.856 HD22 HD13 ' A' ' 12' ' ' LEU . 22.6 mt -59.11 -57.55 12.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.91 -31.66 72.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.429 ' HB1' ' NE1' ' A' ' 44' ' ' TRP . . . -66.86 -48.9 67.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 73.2 p -69.92 -47.22 63.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.95 37.21 0.51 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.455 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 43.21 41.19 2.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.378 . . . . 0.0 110.927 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -78.4 -72.5 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.686 HG23 ' H ' ' A' ' 40' ' ' GLU . 4.3 t -148.5 158.17 43.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.171 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.92 -38.15 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 42' ' ' LEU . 2.3 tp10 -61.92 -53.8 50.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.686 ' H ' HG23 ' A' ' 37' ' ' THR . 4.7 mm-40 -40.59 -42.78 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.662 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -59.72 -39.68 85.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.5 mm? -63.14 -36.9 85.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.41 -24.87 63.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.458 ' CE3' ' O ' ' A' ' 44' ' ' TRP . 21.7 t90 -90.72 -26.71 19.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.591 ' CD2' HG22 ' A' ' 25' ' ' THR . 36.2 mt -78.77 -34.96 45.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.899 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.683 HD12 ' CZ ' ' A' ' 35' ' ' ARG . 10.4 mt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.861 0.362 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 17' ' ' LEU . 4.1 mm? -75.07 -32.56 61.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.525 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 1.7 mm-40 -42.65 -58.77 3.43 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.664 0.745 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.3 Cg_endo -69.76 -39.45 6.5 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.316 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.767 HD21 ' HB3' ' A' ' 41' ' ' ALA . 87.9 mt -72.8 -13.85 61.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 13' ' ' LEU . 72.2 mt -96.25 -47.34 6.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.92 -19.16 63.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.1 mmt -76.06 -25.36 55.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.09 -24.45 5.07 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -69.01 139.7 90.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.643 0.735 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -163.77 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.26 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.614 ' CG1' HD11 ' A' ' 27' ' ' LEU . 25.1 t -87.07 -59.58 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.45 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -46.5 -37.08 7.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.548 HG22 HD21 ' A' ' 45' ' ' LEU . 53.8 m -75.34 -58.33 3.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.0 -34.56 13.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.614 HD11 ' CG1' ' A' ' 23' ' ' VAL . 10.5 mt -67.88 -44.36 77.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -58.12 -50.39 73.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.427 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -62.24 -39.12 91.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 12' ' ' LEU . 19.4 mt -65.35 -62.8 1.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.69 -21.49 40.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.17 -53.28 7.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.414 HG21 ' O ' ' A' ' 40' ' ' GLU . 60.2 p -69.58 -12.04 61.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 91.65 41.8 4.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.683 ' CZ ' HD12 ' A' ' 12' ' ' LEU . 12.0 mmm180 35.1 54.89 0.76 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 110.903 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -89.89 -67.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.495 HG23 ' H ' ' A' ' 40' ' ' GLU . 7.1 t -155.83 141.04 17.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' THR . . . -34.0 -52.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.108 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -46.51 -57.42 4.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.866 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.495 ' H ' HG23 ' A' ' 37' ' ' THR . 3.3 mm-40 -41.14 -40.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.767 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -62.38 -37.28 85.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.065 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.2 mm? -65.61 -36.52 83.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.24 -23.6 62.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.427 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 82.1 t90 -90.42 -32.65 16.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.548 HD21 HG22 ' A' ' 25' ' ' THR . 37.7 mt -72.48 -40.7 66.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.83 179.896 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.6 mt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.543 ' CD1' ' HB3' ' A' ' 26' ' ' ALA . 3.4 mm? -74.65 -28.06 60.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.518 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 10.8 mt-10 -41.87 -58.57 3.16 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.607 0.718 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.5 Cg_endo -69.78 -39.86 5.98 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.319 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.731 HD21 ' HB3' ' A' ' 41' ' ' ALA . 91.2 mt -72.53 -13.4 61.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 13' ' ' LEU . 75.3 mt -96.31 -45.84 6.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.0 -23.71 67.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmt -72.54 -25.37 61.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.35 -25.77 5.07 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -68.62 138.76 91.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -163.8 0.12 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.611 ' CG1' HD11 ' A' ' 27' ' ' LEU . 24.9 t -86.78 -59.88 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -45.07 -34.25 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.7 m -77.45 -60.97 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.543 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . . . -47.2 -33.18 5.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.611 HD11 ' CG1' ' A' ' 23' ' ' VAL . 12.3 mt -69.11 -42.39 76.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm -58.53 -49.99 75.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.446 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -64.33 -39.39 93.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.69 -54.05 45.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.82 -34.61 76.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.111 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.91 -51.8 43.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 29' ' ' ALA . 78.8 p -65.07 -48.6 73.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 126.16 38.96 0.44 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 34' ' ' GLY . 25.9 mtt-85 36.02 42.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.349 . . . . 0.0 110.875 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -84.37 -63.0 1.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.769 HG23 ' H ' ' A' ' 40' ' ' GLU . 10.2 t -146.65 152.08 38.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.84 -39.42 65.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.069 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -57.73 -51.4 69.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.769 ' H ' HG23 ' A' ' 37' ' ' THR . 3.2 mm-40 -39.45 -46.99 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.731 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -54.57 -43.98 72.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.51 -39.72 84.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.53 -26.91 66.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.064 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.446 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 59.1 t90 -88.37 -26.89 21.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mt -79.37 -34.07 42.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.847 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.6 mt . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.872 0.368 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.529 ' CD1' ' HB3' ' A' ' 26' ' ' ALA . 2.4 mm? -80.45 -25.59 38.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.52 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 2.4 mm-40 -42.14 -58.69 3.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.651 0.738 . . . . 0.0 110.865 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.7 Cg_endo -69.76 -39.59 6.33 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.671 HD21 ' HB3' ' A' ' 41' ' ' ALA . 75.0 mt -72.83 -13.37 61.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 13' ' ' LEU . 74.7 mt -96.55 -46.6 6.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.43 -21.83 66.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmt -74.97 -25.23 58.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.77 -31.42 3.37 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.495 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -63.76 139.68 97.67 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.622 0.725 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -163.76 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.731 2.287 . . . . 0.0 112.327 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.62 ' CG1' HD11 ' A' ' 27' ' ' LEU . 16.9 t -85.95 -59.27 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.463 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -47.6 -38.57 14.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.7 m -72.81 -56.94 4.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.529 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . . . -51.25 -34.2 31.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.62 HD11 ' CG1' ' A' ' 23' ' ' VAL . 10.1 mt -68.45 -45.41 72.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -54.94 -50.0 69.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.53 -44.16 97.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.8 mt -59.56 -53.02 62.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.61 -37.7 82.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.71 -61.43 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.0 p -55.73 -52.89 62.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 130.58 43.96 0.18 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' GLY . 0.9 OUTLIER 36.7 38.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.352 . . . . 0.0 110.825 -179.849 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -77.25 -66.44 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.534 HG23 ' H ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -149.2 168.33 23.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.4 ' HB2' ' HG3' ' A' ' 15' ' ' PRO . . . -65.25 -34.68 78.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 42' ' ' LEU . 2.2 tp10 -63.49 -54.16 40.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.534 ' H ' HG23 ' A' ' 37' ' ' THR . 2.0 mm-40 -40.14 -42.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.671 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -59.57 -40.01 85.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.2 mm? -62.65 -38.06 88.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.6 -24.46 63.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.061 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -90.54 -26.4 19.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.5 mt -79.84 -34.2 39.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.882 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.692 HD23 HD22 ' A' ' 30' ' ' LEU . 10.8 mp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.837 0.351 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.5 mm? -72.68 -31.28 64.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.53 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 1.5 mm-40 -42.05 -58.47 3.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.719 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.9 Cg_endo -69.77 -39.56 6.34 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.655 HD21 ' HB3' ' A' ' 41' ' ' ALA . 97.4 mt -72.96 -13.27 61.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' LEU . 78.4 mt -97.35 -48.98 5.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.95 -18.35 63.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.068 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.417 ' CG ' ' O ' ' A' ' 15' ' ' PRO . 4.4 mmm -76.82 -24.47 52.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.11 -31.61 3.13 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -65.27 138.58 97.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.668 0.747 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -163.65 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.358 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.686 ' CG1' HD11 ' A' ' 27' ' ' LEU . 19.7 t -84.67 -55.32 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.181 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.425 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -53.45 -35.4 60.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.9 m -73.7 -54.05 8.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.97 -35.66 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.686 HD11 ' CG1' ' A' ' 23' ' ' VAL . 12.1 mt -67.92 -36.05 79.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -57.3 -56.93 15.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.451 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -61.98 -37.42 84.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.067 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.692 HD22 HD23 ' A' ' 12' ' ' LEU . 41.1 mt -59.87 -56.3 23.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.48 -34.85 78.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.03 -51.09 61.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.3 p -70.54 -59.11 3.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.14 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 138.93 43.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.525 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 34' ' ' GLY . 75.6 mtp85 34.77 45.09 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.352 . . . . 0.0 110.881 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -83.84 -52.05 6.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.655 HG22 ' CD ' ' A' ' 40' ' ' GLU . 2.4 t -173.76 150.59 1.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.529 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -42.15 -57.54 2.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.042 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -38.84 -60.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.655 ' CD ' HG22 ' A' ' 37' ' ' THR . 0.3 OUTLIER -42.97 -46.19 5.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.655 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -58.31 -45.71 87.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.449 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 3.6 mm? -56.19 -35.82 67.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.5 -30.28 68.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.489 ' CZ3' HD23 ' A' ' 45' ' ' LEU . 21.9 t90 -84.44 -24.8 29.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.489 HD23 ' CZ3' ' A' ' 44' ' ' TRP . 46.9 mt -83.34 -32.7 26.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.857 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.857 0.36 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.2 mm? -72.84 -31.85 65.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.529 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 6.0 mm-40 -42.35 -58.48 3.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.644 ' CG ' ' HB2' ' A' ' 38' ' ' ALA . 54.0 Cg_endo -69.73 -39.68 6.28 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.706 2.271 . . . . 0.0 112.363 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.769 HD21 ' HB3' ' A' ' 41' ' ' ALA . 97.0 mt -72.66 -13.72 61.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . 75.1 mt -96.04 -46.87 6.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.24 -19.94 65.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.6 mmm -75.16 -24.02 57.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.23 -24.66 5.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.545 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.67 138.28 90.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.639 0.733 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -163.73 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.718 2.279 . . . . 0.0 112.353 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.67 ' CG1' HD11 ' A' ' 27' ' ' LEU . 20.7 t -86.7 -61.09 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.58 -32.75 1.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 m -78.07 -61.46 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.56 -32.3 5.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.67 HD11 ' CG1' ' A' ' 23' ' ' VAL . 13.7 mt -71.58 -37.8 70.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HB3' ' CH2' ' A' ' 44' ' ' TRP . 24.6 mttt -56.03 -52.25 64.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.496 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -65.1 -45.92 83.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.076 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.9 mt -54.87 -58.17 8.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.38 -33.01 65.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.71 -72.32 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.5 p -44.37 -55.4 5.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.426 ' HA3' ' NZ ' ' A' ' 36' ' ' LYS . . . 135.85 30.55 0.32 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.4 mtt-85 49.37 26.78 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 110.889 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.426 ' NZ ' ' HA3' ' A' ' 34' ' ' GLY . 1.1 mptt -60.89 -57.75 11.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.425 HG22 ' OE2' ' A' ' 40' ' ' GLU . 11.1 t -173.8 164.21 4.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.644 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -49.01 -59.24 3.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.087 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -39.65 -59.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.425 ' OE2' HG22 ' A' ' 37' ' ' THR . 0.1 OUTLIER -44.23 -47.43 9.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.884 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.769 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -57.29 -44.46 84.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -56.23 -35.32 67.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.51 -32.22 72.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.496 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 69.2 t90 -83.45 -28.92 28.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.5 mt -76.24 -36.96 58.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.895 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -82.83 42.02 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.9 p -67.49 155.17 39.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.96 143.37 16.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.7 p 42.98 45.01 4.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.6 m -97.18 90.49 5.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.11 58.79 0.34 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -91.86 -41.15 10.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.9 m -70.03 144.45 92.86 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.639 0.733 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 111.97 2.95 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.665 2.243 . . . . 0.0 112.392 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.4 m -123.11 -70.76 0.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.649 ' HB3' HD21 ' A' ' 30' ' ' LEU . 3.6 mm? -79.47 -20.66 46.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 17' ' ' LEU . 4.6 mm? -73.46 -32.03 64.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.522 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 10.4 mt-10 -42.44 -58.69 3.39 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.642 0.734 . . . . 0.0 110.84 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.1 Cg_endo -69.73 -39.55 6.44 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.754 HD21 ' HB3' ' A' ' 41' ' ' ALA . 87.8 mt -72.76 -13.76 61.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 13' ' ' LEU . 72.7 mt -95.95 -45.5 6.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.64 -22.04 66.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.5 mmm -74.43 -24.98 59.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.61 -27.99 4.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -64.08 140.76 97.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.636 0.732 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -163.76 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.32 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.656 ' CG1' HD11 ' A' ' 27' ' ' LEU . 17.3 t -88.46 -57.52 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.452 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.41 -37.9 27.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.3 m -74.9 -56.99 4.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.482 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . . . -50.86 -33.01 22.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.656 HD11 ' CG1' ' A' ' 23' ' ' VAL . 12.1 mt -69.88 -42.91 72.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -57.84 -50.74 72.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.416 ' O ' HG23 ' A' ' 33' ' ' THR . . . -60.99 -39.04 88.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.649 HD21 ' HB3' ' A' ' 12' ' ' LEU . 22.9 mt -62.83 -58.08 8.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.82 -28.48 66.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.76 -48.46 31.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 29' ' ' ALA . 58.0 p -73.35 -26.47 61.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.44 34.64 4.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 41.36 44.35 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -80.96 -47.3 13.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.677 HG23 ' H ' ' A' ' 40' ' ' GLU . 8.1 t -171.35 155.09 4.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.59 -49.37 56.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -50.93 -49.6 59.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.677 ' H ' HG23 ' A' ' 37' ' ' THR . 5.6 mm-40 -47.4 -48.59 26.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.754 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -53.16 -43.17 66.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.04 -38.91 84.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.01 -28.92 69.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.683 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 39.8 t90 -85.05 -29.32 25.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.6 mt -77.92 -37.92 46.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -68.98 -23.11 64.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -94.5 -25.44 16.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.683 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 6.6 m-70 -92.92 -56.84 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.807 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 48' ' ' HIS . 15.8 p -35.7 -31.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 48' ' ' HIS . 46.7 m-20 -90.6 78.11 6.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -166.06 144.05 4.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 110.859 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -13.37 34.4 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.676 2.25 . . . . 0.0 112.337 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.8 p -92.6 -15.35 27.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.557 HD13 ' HB3' ' A' ' 48' ' ' HIS . 23.9 mt -116.27 85.39 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -75.12 113.34 12.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -148.08 159.13 40.69 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.581 0.705 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -12.37 32.73 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.631 2.221 . . . . 0.0 112.319 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 25.5 mm -64.78 86.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.9 p -64.86 125.03 23.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -88.88 -160.04 35.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 171.42 14.47 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.662 2.241 . . . . 0.0 112.371 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.8 m -49.51 -57.46 7.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.2 t -67.24 -55.88 12.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.0 m -137.11 106.39 6.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 0.0 110.835 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 t -105.22 100.0 9.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.29 46.25 63.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.513 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t 57.7 38.26 27.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.902 0.382 . . . . 0.0 110.883 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -56.27 131.17 47.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.868 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.38 68.15 0.1 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.5 p -68.2 157.83 34.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.912 0.387 . . . . 0.0 110.822 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.7 m -122.09 144.46 41.45 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.637 0.732 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 2.76 3.21 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.28 . . . . 0.0 112.324 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.5 m -53.0 -56.87 12.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.5 mt -69.0 -17.01 63.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.55 ' CD1' ' HB3' ' A' ' 26' ' ' ALA . 3.2 mm? -85.51 -26.42 26.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.522 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 2.9 mm-40 -42.26 -58.84 3.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.602 0.715 . . . . 0.0 110.846 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.0 Cg_endo -69.77 -39.61 6.28 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.617 HD21 ' HB3' ' A' ' 41' ' ' ALA . 91.3 mt -72.79 -13.38 61.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LEU . 73.0 mt -96.76 -48.09 5.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.73 -20.21 65.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.7 mmm -76.24 -25.31 54.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.89 -34.65 2.52 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.521 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -62.27 139.81 96.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.643 0.735 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -163.76 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.658 ' CG1' HD11 ' A' ' 27' ' ' LEU . 15.9 t -87.05 -58.03 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.443 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.43 -38.54 29.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.446 HG22 ' CD2' ' A' ' 45' ' ' LEU . 86.4 m -74.04 -55.88 5.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.55 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . . . -51.32 -34.42 33.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.658 HD11 ' CG1' ' A' ' 23' ' ' VAL . 9.3 mt -69.68 -38.51 77.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -58.42 -53.8 54.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.817 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -59.47 -41.38 89.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.6 mt -61.3 -55.28 33.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.46 -34.87 73.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.63 -58.69 3.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.9 p -56.33 -54.38 46.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 137.76 39.81 0.12 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.451 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 34' ' ' GLY . 1.1 mpp_? 37.13 41.57 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.859 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -81.82 -67.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.82 HG22 ' CD ' ' A' ' 40' ' ' GLU . 9.9 t -156.59 170.68 21.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.141 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.85 -57.83 11.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.075 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -42.07 -58.53 2.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.82 ' CD ' HG22 ' A' ' 37' ' ' THR . 0.5 OUTLIER -42.95 -39.42 2.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.617 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -68.33 -39.61 81.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -59.3 -36.01 74.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.34 -25.84 65.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.079 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.817 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 59.2 t90 -90.48 -25.29 20.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.446 ' CD2' HG22 ' A' ' 25' ' ' THR . 9.4 mt -80.94 -30.72 35.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -75.94 -13.68 60.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -106.75 -21.36 13.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.654 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 4.5 m-70 -96.9 -39.25 9.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.8 t -45.94 155.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 74.17 41.42 0.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.401 ' HB2' HD12 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -120.66 144.86 39.66 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.604 0.716 . . . . 0.0 110.883 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -10.56 28.87 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.268 . . . . 0.0 112.376 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.8 p -102.06 -13.52 17.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.401 HD12 ' HB2' ' A' ' 51' ' ' ASP . 13.2 mt -117.43 40.38 3.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -43.67 117.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -119.79 153.13 54.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.586 0.708 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -43.16 2.83 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.639 2.226 . . . . 0.0 112.343 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.729 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.2 mp -40.83 118.86 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 t 53.12 42.82 32.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.4 -166.55 0.57 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.414 ' HB2' ' C ' ' A' ' 64' ' ' GLY . 53.9 Cg_endo -69.8 140.36 42.34 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.682 2.255 . . . . 0.0 112.356 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.7 m -93.77 -45.95 7.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.8 p -95.12 -51.59 4.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.414 ' C ' ' HB2' ' A' ' 61' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -92.65 105.71 17.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.901 0.381 . . . . 0.0 110.875 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 p -79.44 118.75 21.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.62 -175.78 28.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 t -123.13 100.28 6.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 0.0 110.832 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.8 m -53.68 -48.85 69.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.44 61.92 4.13 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.3 t -59.78 119.07 6.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.874 0.369 . . . . 0.0 110.863 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.4 p -50.98 147.61 8.73 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.662 0.744 . . . . 0.0 110.907 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 102.69 1.06 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.315 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.8 m -109.53 -56.2 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.723 HD13 HD22 ' A' ' 30' ' ' LEU . 11.7 mt -78.42 -30.38 47.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 17' ' ' LEU . 4.2 mm? -72.63 -34.06 67.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.516 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 3.3 mm-40 -42.95 -58.82 3.56 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.614 0.721 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.4 Cg_endo -69.76 -39.49 6.44 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.646 2.231 . . . . 0.0 112.348 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.691 HD21 ' HB3' ' A' ' 41' ' ' ALA . 89.7 mt -72.62 -14.11 61.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 13' ' ' LEU . 69.0 mt -95.7 -46.04 6.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.74 -19.98 65.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.2 mmt -76.57 -24.89 53.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.9 -25.82 5.2 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.464 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -66.79 139.62 95.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.623 0.725 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -163.76 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.631 ' CG1' HD11 ' A' ' 27' ' ' LEU . 26.2 t -87.7 -56.86 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.418 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.34 -35.58 28.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.5 m -75.48 -56.88 4.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.76 -35.34 43.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.631 HD11 ' CG1' ' A' ' 23' ' ' VAL . 13.9 mt -67.19 -42.42 84.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -57.82 -50.12 74.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.551 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -62.92 -41.99 99.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.723 HD22 HD13 ' A' ' 12' ' ' LEU . 19.7 mt -57.73 -58.2 9.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.39 -36.74 78.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.3 -52.51 61.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.3 p -67.53 -51.49 50.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 130.91 35.8 0.38 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 34' ' ' GLY . 6.0 mtt-85 35.94 41.51 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.913 0.387 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -83.39 -63.69 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.803 HG23 ' H ' ' A' ' 40' ' ' GLU . 8.8 t -143.35 149.27 37.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.15 -42.98 51.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 42' ' ' LEU . 20.9 tt0 -56.43 -53.91 51.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.803 ' H ' HG23 ' A' ' 37' ' ' THR . 2.2 mm-40 -37.24 -48.43 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.691 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -54.06 -44.25 70.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.7 mm? -60.06 -35.67 75.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.23 -27.12 64.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.551 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 73.1 t90 -86.79 -29.02 22.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.7 mt -77.79 -37.34 49.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -71.8 -20.06 61.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.23 -26.21 15.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.502 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 4.8 m-70 -92.42 -51.44 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.1 p -39.8 -29.78 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -47.6 -55.09 10.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -57.87 144.01 75.62 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.58 0.705 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -26.13 28.12 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 64.2 p -55.49 -14.08 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 48' ' ' HIS . 34.1 mt -114.53 80.65 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -73.02 156.66 38.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -153.75 145.04 16.41 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.606 0.717 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -13.14 34.12 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.753 2.302 . . . . 0.0 112.332 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.7 mt -59.76 145.49 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 t -77.25 -54.79 6.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.02 83.33 1.73 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 2.69 3.33 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.646 2.231 . . . . 0.0 112.371 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 63' ' ' SER . 43.8 t -102.25 116.93 33.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 62' ' ' SER . 40.6 t -35.68 139.73 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.468 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 m -100.33 154.11 18.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.839 0.352 . . . . 0.0 110.878 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.2 m -96.94 -59.93 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.98 -122.73 0.66 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.524 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -107.35 108.08 19.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.828 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -100.0 151.58 21.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.98 178.96 3.29 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.6 m -118.5 162.64 18.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.361 . . . . 0.0 110.839 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 p -161.44 145.12 9.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.679 0.752 . . . . 0.0 110.825 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 0.13 6.07 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.345 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.0 m -50.76 -51.49 49.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.897 HD23 HD22 ' A' ' 30' ' ' LEU . 10.0 mp -70.82 -20.47 62.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.7 mm? -82.6 -27.81 31.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.528 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 6.0 mt-10 -42.09 -58.75 3.13 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.677 0.751 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.1 Cg_endo -69.79 -39.52 6.36 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.68 HD21 ' HB3' ' A' ' 41' ' ' ALA . 86.4 mt -72.94 -13.22 61.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . 74.9 mt -97.1 -48.26 5.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.93 -19.38 64.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.8 mmm -76.1 -25.05 55.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.13 -29.87 3.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -63.54 139.97 97.69 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.645 0.736 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -163.79 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.722 2.281 . . . . 0.0 112.311 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.651 ' CG1' HD11 ' A' ' 27' ' ' LEU . 22.9 t -87.62 -56.56 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.41 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.8 -36.31 36.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.688 HG22 ' CD2' ' A' ' 45' ' ' LEU . 89.2 m -76.05 -55.77 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.47 -33.48 44.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.651 HD11 ' CG1' ' A' ' 23' ' ' VAL . 13.3 mt -69.31 -45.48 69.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -55.42 -50.22 70.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.87 92.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.897 HD22 HD23 ' A' ' 12' ' ' LEU . 54.2 mt -62.36 -56.13 21.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.71 -33.54 75.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.054 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.2 -49.55 66.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.3 p -68.23 -53.59 23.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.149 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 136.45 37.6 0.17 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 39.27 37.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.878 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -79.64 -63.37 1.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.405 HG23 ' H ' ' A' ' 40' ' ' GLU . 7.9 t -156.72 154.3 29.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.33 -56.04 7.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -39.15 -60.05 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' H ' HG23 ' A' ' 37' ' ' THR . 2.0 mm-40 -40.9 -47.05 2.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.68 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -53.69 -44.69 69.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.055 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.41 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 3.9 mm? -58.97 -39.27 81.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.48 -25.63 68.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.58 ' CZ3' ' HB2' ' A' ' 48' ' ' HIS . 41.4 t90 -91.06 -31.08 16.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.688 ' CD2' HG22 ' A' ' 25' ' ' THR . 31.3 mt -72.3 -39.03 68.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -64.76 -22.58 67.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -100.14 -31.42 11.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.58 ' HB2' ' CZ3' ' A' ' 44' ' ' TRP . 40.7 m-70 -104.62 37.42 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.4 t -113.35 -40.76 3.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -82.82 44.6 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.16 144.28 31.88 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.592 0.71 . . . . 0.0 110.912 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -21.42 33.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.2 m -94.45 -13.09 26.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 77.4 mt -115.46 42.63 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -62.16 118.69 7.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -91.68 156.04 43.22 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.601 0.715 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -29.35 24.13 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.248 . . . . 0.0 112.337 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.688 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.3 mp -55.21 -41.32 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.3 p 41.79 25.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.551 ' H ' HG22 ' A' ' 58' ' ' ILE . . . 113.94 -94.23 0.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 114.32 3.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.7 m -79.9 116.22 19.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 m -59.72 122.51 14.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.832 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.528 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 p -165.78 174.67 9.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.372 . . . . 0.0 110.826 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -47.15 -59.61 3.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.67 -81.31 0.35 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.9 p -78.08 139.51 39.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.83 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -136.37 175.28 9.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.48 -51.45 26.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.9 m -113.57 136.69 52.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 110.888 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.419 ' O ' HD23 ' A' ' 13' ' ' LEU . 7.7 t -154.93 142.21 13.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.686 0.755 . . . . 0.0 110.874 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 2.36 3.59 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.73 2.287 . . . . 0.0 112.337 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.0 p -51.13 -74.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.823 HD23 HD22 ' A' ' 30' ' ' LEU . 10.1 mp -59.02 -13.1 5.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.54 HD22 ' N ' ' A' ' 13' ' ' LEU . 1.1 mm? -83.93 -28.82 27.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.529 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 14.5 mm-40 -41.78 -58.6 3.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.611 0.719 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.4 Cg_endo -69.77 -39.63 6.25 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.7 2.266 . . . . 0.0 112.294 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.601 HD21 ' HB3' ' A' ' 41' ' ' ALA . 78.6 mt -72.95 -13.01 61.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 13' ' ' LEU . 77.7 mt -97.38 -48.13 5.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.0 -18.58 63.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.0 mmm -77.09 -25.62 52.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.77 -31.36 3.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -64.39 139.94 97.84 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -163.81 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.709 2.273 . . . . 0.0 112.367 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.64 ' CG1' HD11 ' A' ' 27' ' ' LEU . 18.2 t -87.32 -56.58 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.408 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.83 -36.77 39.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.523 HG22 HD21 ' A' ' 45' ' ' LEU . 88.8 m -75.58 -55.69 5.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.64 -32.82 43.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.64 HD11 ' CG1' ' A' ' 23' ' ' VAL . 12.1 mt -70.05 -44.51 69.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -55.84 -50.45 70.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.477 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -61.15 -40.81 95.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.823 HD22 HD23 ' A' ' 12' ' ' LEU . 58.5 mt -60.92 -55.97 26.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.16 -34.8 72.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.103 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.73 -60.64 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.08 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.6 p -56.42 -50.33 71.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 133.1 41.38 0.18 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' GLY . 59.4 mtm180 35.81 44.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.854 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -86.74 -60.72 1.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.713 HG22 ' OE2' ' A' ' 40' ' ' GLU . 6.5 t -157.75 179.62 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.419 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -70.91 -50.68 32.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -46.62 -58.2 4.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.713 ' OE2' HG22 ' A' ' 37' ' ' THR . 0.5 OUTLIER -41.21 -43.56 2.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.601 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -62.54 -42.71 99.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.094 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -56.49 -36.04 68.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.39 -28.98 66.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.535 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 58.8 t90 -84.51 -25.83 28.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.523 HD21 HG22 ' A' ' 25' ' ' THR . 28.6 mt -83.3 -34.34 25.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -72.21 -19.85 61.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -98.18 -28.88 13.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.535 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 8.2 m-70 -86.34 -52.92 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 48' ' ' HIS . 19.1 p -34.84 -38.11 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -60.09 -51.43 69.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 48' ' ' HIS . 4.6 m-20 -39.7 147.31 0.34 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.581 0.705 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -30.18 22.52 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.678 2.252 . . . . 0.0 112.358 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.0 m -58.35 -12.88 4.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 55' ' ' ASP . 12.5 mt -121.7 81.38 1.8 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 54' ' ' LEU . 19.7 t70 -35.2 -52.22 0.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -164.9 144.05 5.64 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.585 0.707 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.553 HG22 ' H ' ' A' ' 60' ' ' GLY . 20.3 mm -73.27 125.64 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.4 m -111.97 32.89 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.553 ' H ' HG22 ' A' ' 58' ' ' ILE . . . -162.86 83.36 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.507 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 97.22 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.362 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.1 t -144.37 154.34 42.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.8 t -111.96 113.21 25.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -159.09 129.74 5.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.833 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 m -123.49 125.88 45.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.54 102.45 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 6' ' ' SER . 89.1 p -92.32 150.68 20.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 110.846 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 5' ' ' SER . 26.5 p -36.58 139.16 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.76 -168.06 38.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.452 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.8 m -102.48 143.52 32.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.601 ' O ' HD23 ' A' ' 13' ' ' LEU . 84.7 p -120.18 143.69 36.21 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.689 0.757 . . . . 0.0 110.849 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -9.31 25.8 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.342 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.3 m -56.52 -57.62 11.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt -68.32 -22.49 64.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.601 HD23 ' O ' ' A' ' 9' ' ' SER . 2.7 mm? -72.16 -31.59 66.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.523 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 9.3 mt-10 -42.63 -58.82 3.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.682 0.753 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.4 Cg_endo -69.78 -39.56 6.33 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.266 . . . . 0.0 112.326 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.498 HD21 ' HB3' ' A' ' 41' ' ' ALA . 80.9 mt -72.69 -13.74 61.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LEU . 70.7 mt -96.19 -46.28 6.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.43 -21.14 66.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.7 mmm -75.64 -27.45 58.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.14 -26.56 3.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.524 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -67.89 139.07 93.06 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.665 0.745 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -163.8 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.634 ' CG1' HD11 ' A' ' 27' ' ' LEU . 25.4 t -88.06 -58.74 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.447 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -48.21 -36.88 14.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.691 HG22 HD21 ' A' ' 45' ' ' LEU . 95.4 m -74.53 -58.66 3.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.01 -36.92 18.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.634 HD11 ' CG1' ' A' ' 23' ' ' VAL . 10.8 mt -65.87 -46.35 78.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -57.12 -50.01 74.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.748 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -64.12 -41.21 97.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.436 ' HG ' ' CD1' ' A' ' 16' ' ' LEU . 17.9 mt -59.82 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.42 -30.22 18.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.067 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.49 -43.98 75.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 35' ' ' ARG . 22.3 p -96.78 53.46 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 44.55 20.7 0.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' GLY . 6.0 ptt180 34.51 46.7 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 0.0 110.829 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -75.41 -59.4 2.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.64 HG22 ' OE2' ' A' ' 40' ' ' GLU . 14.6 t -147.26 159.18 43.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.2 -53.32 21.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -40.91 -60.55 1.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.64 ' OE2' HG22 ' A' ' 37' ' ' THR . 0.4 OUTLIER -43.0 -47.39 5.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.498 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -55.33 -46.22 76.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.44 -40.25 71.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.16 -23.67 67.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.748 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 57.7 t90 -91.52 -30.01 16.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.691 HD21 HG22 ' A' ' 25' ' ' THR . 27.5 mt -73.59 -37.71 65.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -68.89 -19.06 64.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -102.67 -27.22 12.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.591 ' HB3' HD13 ' A' ' 54' ' ' LEU . 40.2 m-70 -109.64 43.0 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.0 p -107.3 -39.5 5.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -49.38 -50.32 40.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.731 ' HB2' HD12 ' A' ' 54' ' ' LEU . 1.2 m-20 -40.64 144.06 0.63 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.632 0.729 . . . . 0.0 110.855 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -47.11 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.65 2.234 . . . . 0.0 112.393 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.7 m -61.74 -15.11 38.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.731 HD12 ' HB2' ' A' ' 51' ' ' ASP . 12.0 mt -113.5 40.81 2.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -90.56 164.27 14.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -131.27 148.58 70.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.628 0.727 . . . . 0.0 110.823 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -0.74 7.36 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.68 2.253 . . . . 0.0 112.312 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 39.8 mt -59.53 106.87 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.177 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.2 t -66.24 151.46 46.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.2 146.27 15.1 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.52 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 130.31 19.1 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.684 2.256 . . . . 0.0 112.371 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.8 t -133.41 115.97 15.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.1 t -174.41 141.88 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t -131.63 116.21 17.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.372 . . . . 0.0 110.822 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.2 m -77.1 115.48 16.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.22 39.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -61.4 125.09 22.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.36 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.7 p -132.21 116.48 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.77 -49.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.475 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.2 m -118.94 174.49 6.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.919 0.39 . . . . 0.0 110.869 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 t -75.08 142.44 75.87 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.671 0.748 . . . . 0.0 110.885 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 2.77 3.23 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.686 2.257 . . . . 0.0 112.379 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 t -57.61 -53.96 52.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.003 HD23 HD22 ' A' ' 30' ' ' LEU . 10.3 mp -69.27 -18.05 63.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 17' ' ' LEU . 2.5 mm? -83.86 -28.43 28.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.525 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 3.8 mm-40 -42.3 -58.79 3.22 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.696 0.76 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.568 ' CG ' ' HB2' ' A' ' 38' ' ' ALA . 53.8 Cg_endo -69.82 -39.35 6.49 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.674 HD21 ' HB3' ' A' ' 41' ' ' ALA . 82.1 mt -72.96 -13.46 61.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' LEU . 73.6 mt -96.72 -46.67 6.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.28 -23.66 67.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.2 mmm -72.26 -25.71 61.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.83 -33.01 2.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.15 140.13 94.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.701 0.763 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -163.74 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.262 . . . . 0.0 112.329 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.677 ' CG1' HD11 ' A' ' 27' ' ' LEU . 17.4 t -87.43 -56.38 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.428 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.98 -37.3 43.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.655 HG22 ' CD2' ' A' ' 45' ' ' LEU . 89.2 m -74.83 -55.93 5.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.74 -32.93 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.677 HD11 ' CG1' ' A' ' 23' ' ' VAL . 13.5 mt -70.1 -45.54 66.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -55.29 -50.47 69.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.87 -43.17 90.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.124 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 1.003 HD22 HD23 ' A' ' 12' ' ' LEU . 33.5 mt -63.05 -53.79 48.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.13 -33.34 69.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.78 -58.11 4.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.402 HG21 ' C ' ' A' ' 40' ' ' GLU . 72.5 p -57.61 -51.59 68.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.19 34.12 0.21 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.1 mtt85 43.42 44.27 4.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.868 0.365 . . . . 0.0 110.899 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -84.53 -62.44 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.458 HG22 ' CD ' ' A' ' 40' ' ' GLU . 13.7 t -164.37 162.32 22.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.568 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -45.84 -62.12 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 38' ' ' ALA . 40.8 mt-10 -35.1 -61.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.458 ' CD ' HG22 ' A' ' 37' ' ' THR . 0.6 OUTLIER -43.29 -47.81 6.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.674 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -55.28 -44.71 75.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.526 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 4.2 mm? -57.36 -40.17 77.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.12 -27.69 69.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.403 ' CZ3' ' HB2' ' A' ' 48' ' ' HIS . 46.5 t90 -88.07 -29.29 20.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.655 ' CD2' HG22 ' A' ' 25' ' ' THR . 37.2 mt -74.95 -37.6 61.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -65.08 -26.77 68.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -95.88 -33.29 12.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.419 ' O ' ' CD1' ' A' ' 54' ' ' LEU . 44.7 m-70 -103.4 43.62 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.3 p -104.99 -38.16 6.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -84.01 37.83 0.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.43 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 3.9 t70 -97.82 141.19 22.59 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.72 . . . . 0.0 110.838 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 51' ' ' ASP . 53.9 Cg_endo -69.79 -44.9 1.79 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -67.61 -15.37 63.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.419 ' CD1' ' O ' ' A' ' 48' ' ' HIS . 96.2 mt -97.87 44.69 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -63.13 121.53 13.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -149.46 151.19 32.94 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -0.16 6.5 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.738 2.292 . . . . 0.0 112.369 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 46.9 mm -55.02 135.52 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.7 m -43.11 162.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.73 171.25 38.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.522 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 2.85 3.2 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.64 2.227 . . . . 0.0 112.305 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.4 m -153.39 144.03 22.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.8 p -57.05 -47.43 80.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -88.24 127.33 35.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.883 0.373 . . . . 0.0 110.873 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t 62.14 44.17 8.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.03 76.48 0.22 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.454 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -74.56 175.03 8.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 t -99.6 99.91 10.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.89 144.85 5.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.478 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.2 t -43.83 148.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.5 m -76.94 147.33 77.14 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 110.824 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -0.32 6.78 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.633 2.222 . . . . 0.0 112.325 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 t -71.51 -48.86 46.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.609 HD12 ' CD2' ' A' ' 30' ' ' LEU . 4.5 mm? -69.6 -12.14 61.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.528 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.1 mm? -102.89 -27.32 12.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.976 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.523 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 3.1 mm-40 -42.59 -58.91 3.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.694 ' CG ' ' HB2' ' A' ' 38' ' ' ALA . 53.9 Cg_endo -69.73 -39.54 6.43 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.604 HD21 ' HB3' ' A' ' 41' ' ' ALA . 87.4 mt -72.73 -13.75 61.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 13' ' ' LEU . 70.4 mt -96.21 -46.95 6.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.71 -18.6 64.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 22.0 mmm -77.94 -24.84 48.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.08 -34.28 2.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -58.47 139.56 85.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.689 0.757 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.256 . . . . 0.0 112.338 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.634 ' CG1' HD11 ' A' ' 27' ' ' LEU . 17.4 t -89.1 -54.46 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -50.81 -33.63 24.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.6 ' CG2' HD22 ' A' ' 45' ' ' LEU . 49.8 m -78.92 -57.91 3.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.466 ' HB3' HD12 ' A' ' 13' ' ' LEU . . . -50.61 -30.9 14.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.634 HD11 ' CG1' ' A' ' 23' ' ' VAL . 15.9 mt -72.34 -42.45 65.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' HD2' ' CD2' ' A' ' 54' ' ' LEU . 19.1 mtmt -56.75 -50.49 72.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.412 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -63.02 -44.37 96.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.609 ' CD2' HD12 ' A' ' 12' ' ' LEU . 47.8 mt -57.23 -59.19 5.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.96 -32.92 64.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.9 -63.26 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.7 p -56.01 -71.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 36' ' ' LYS . . . 158.07 35.96 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.406 ' N ' ' HD3' ' A' ' 35' ' ' ARG . 2.1 mpp_? 39.22 30.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -71.26 -59.59 2.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.478 HG22 ' CD ' ' A' ' 40' ' ' GLU . 6.2 t -159.93 179.87 8.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.694 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -68.82 -53.79 19.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -43.77 -58.83 2.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.478 ' CD ' HG22 ' A' ' 37' ' ' THR . 0.5 OUTLIER -47.03 -38.96 11.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.604 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -70.38 -36.19 73.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.471 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 3.7 mm? -62.44 -35.69 80.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.42 -27.51 66.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.472 ' C ' ' CE3' ' A' ' 44' ' ' TRP . 9.0 t90 -87.97 -29.61 20.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.6 HD22 ' CG2' ' A' ' 25' ' ' THR . 41.6 mt -75.5 -37.32 60.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.953 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -68.08 -25.48 65.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -94.84 -33.26 12.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.443 ' HB2' ' CZ3' ' A' ' 44' ' ' TRP . 44.1 m-70 -103.83 43.08 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.808 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 t -114.03 -40.14 3.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -58.59 -43.34 89.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -39.73 144.15 0.52 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.63 0.729 . . . . 0.0 110.89 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -47.47 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.342 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.0 t -60.07 -13.77 13.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.443 ' CD2' ' HD2' ' A' ' 28' ' ' LYS . 13.0 mt -118.87 43.35 2.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -65.14 135.76 55.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -124.43 153.26 69.18 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.728 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -38.41 7.85 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 95.4 mt -38.4 123.99 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.191 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.7 m -88.13 -57.94 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 112.63 -94.43 0.73 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.494 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 110.27 2.51 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.7 p -169.68 167.71 9.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.3 p -127.04 148.15 50.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.533 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.3 p -147.69 152.36 37.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.6 p -110.98 171.04 7.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.03 159.1 0.28 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.51 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 p -145.49 131.16 18.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.7 m -74.21 151.08 40.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.49 -178.79 0.39 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.9 p -169.33 132.85 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.379 . . . . 0.0 110.874 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.2 m -100.95 154.68 37.01 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.662 0.744 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 99.73 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.396 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.3 m -127.05 -55.38 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.481 ' HB3' HD21 ' A' ' 30' ' ' LEU . 12.8 mt -78.35 -34.98 48.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.9 mm? -73.03 -31.67 64.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.521 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 3.4 mm-40 -42.69 -58.83 3.4 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.635 0.731 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.9 Cg_endo -69.79 -39.46 6.42 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.348 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.661 HD21 ' HB3' ' A' ' 41' ' ' ALA . 86.1 mt -72.68 -13.95 61.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 13' ' ' LEU . 70.3 mt -96.1 -46.79 6.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.46 -19.2 64.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.8 mmm -77.48 -26.75 51.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.2 -27.27 4.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -66.09 140.62 97.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.667 0.746 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -163.74 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.657 2.238 . . . . 0.0 112.332 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.646 ' CG1' HD11 ' A' ' 27' ' ' LEU . 18.9 t -88.95 -57.18 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.419 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.49 -37.11 25.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.666 HG22 ' CD2' ' A' ' 45' ' ' LEU . 86.1 m -75.3 -57.3 3.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.95 -32.97 22.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.646 HD11 ' CG1' ' A' ' 23' ' ' VAL . 13.7 mt -69.83 -44.87 69.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm -55.67 -50.37 70.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.506 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -61.84 -42.37 98.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.481 HD21 ' HB3' ' A' ' 12' ' ' LEU . 29.7 mt -59.61 -54.59 44.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.38 -33.84 73.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.28 -54.19 19.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 74.0 p -61.66 -47.67 84.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.64 40.2 0.36 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.5 mtt-85 39.75 35.88 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -76.41 -65.84 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.493 HG23 ' H ' ' A' ' 40' ' ' GLU . 11.8 t -157.8 167.16 30.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.157 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.77 -55.08 39.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -42.03 -50.88 4.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.493 ' H ' HG23 ' A' ' 37' ' ' THR . 3.0 mm-40 -50.6 -48.74 57.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.661 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -54.12 -40.4 67.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.64 -39.02 89.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.5 -23.76 66.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.506 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 51.7 t90 -91.7 -29.36 16.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.666 ' CD2' HG22 ' A' ' 25' ' ' THR . 21.0 mt -76.17 -37.51 57.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -63.16 -16.77 61.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -107.17 -24.68 11.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.418 ' ND1' ' CZ2' ' A' ' 44' ' ' TRP . 29.2 m-70 -106.86 36.83 2.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.3 p -107.31 175.3 5.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.8 t30 43.32 37.77 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 6.6 t70 -98.69 139.98 21.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.715 . . . . 0.0 110.835 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 51' ' ' ASP . 53.4 Cg_endo -69.83 -7.67 21.67 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.281 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.1 t -107.01 -14.47 14.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.9 mt -116.91 84.61 2.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -61.31 148.28 41.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -158.87 144.38 12.03 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.599 0.714 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -1.78 9.09 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 49.2 mt -77.61 104.07 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.1 t -106.84 118.52 36.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.05 157.51 25.2 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 163.73 37.15 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 t -109.9 156.9 19.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.3 t -97.4 161.62 13.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.514 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 m -115.34 175.44 5.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 p -116.92 -53.19 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.95 -115.55 0.33 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 t -83.75 95.92 8.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.881 0.372 . . . . 0.0 110.879 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 t -50.7 -49.58 57.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.91 -126.53 8.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.2 p -105.59 125.83 51.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.5 p -148.8 144.37 18.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.692 0.758 . . . . 0.0 110.833 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 0.42 5.64 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.641 2.227 . . . . 0.0 112.392 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.9 m -57.36 -51.76 68.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.887 HD23 HD22 ' A' ' 30' ' ' LEU . 10.6 mp -72.58 -14.71 61.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.978 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' LEU . 2.1 mm? -85.68 -29.58 23.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 12.4 mt-10 -42.76 -58.74 3.53 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.632 0.73 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.609 ' HG2' ' HB2' ' A' ' 38' ' ' ALA . 53.9 Cg_endo -69.77 -39.3 6.64 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.231 . . . . 0.0 112.393 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.639 HD21 ' HB3' ' A' ' 41' ' ' ALA . 86.2 mt -72.85 -13.88 61.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LEU . 71.9 mt -96.2 -46.19 6.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.23 -21.19 66.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.0 mmm -74.71 -23.87 58.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.79 -27.7 4.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -66.15 139.27 96.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.625 0.726 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -163.71 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.242 . . . . 0.0 112.377 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.662 ' CG1' HD11 ' A' ' 27' ' ' LEU . 24.7 t -88.09 -58.19 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.084 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.91 -31.06 6.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.544 HG22 ' CD2' ' A' ' 45' ' ' LEU . 51.4 m -78.83 -60.33 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.403 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . . . -49.29 -34.51 15.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.117 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.662 HD11 ' CG1' ' A' ' 23' ' ' VAL . 15.0 mt -68.12 -41.87 81.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -59.55 -50.51 73.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.825 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -64.77 -36.96 86.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.086 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.887 HD22 HD23 ' A' ' 12' ' ' LEU . 33.0 mt -65.89 -57.95 6.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.68 -26.7 62.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.74 -52.01 9.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.075 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.7 p -62.97 -44.12 96.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.135 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.22 33.42 0.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 65.7 mtt85 38.4 39.88 0.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.8 mttp -82.2 -61.07 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.405 HG22 ' OE2' ' A' ' 40' ' ' GLU . 9.0 t -163.18 147.23 10.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.609 ' HB2' ' HG2' ' A' ' 15' ' ' PRO . . . -37.82 -57.48 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 38' ' ' ALA . 53.6 mt-10 -34.54 -62.84 0.33 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' OE2' HG22 ' A' ' 37' ' ' THR . 0.5 OUTLIER -42.37 -46.73 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.639 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -55.87 -45.0 78.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.049 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.439 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 4.1 mm? -56.82 -39.43 74.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.05 -20.87 65.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.825 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 36.1 t90 -95.4 -27.39 15.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.544 ' CD2' HG22 ' A' ' 25' ' ' THR . 9.5 mt -78.49 -33.67 47.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -69.44 -18.42 63.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -105.2 -27.16 11.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.673 ' O ' HD13 ' A' ' 54' ' ' LEU . 46.1 m-70 -107.16 38.5 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.2 t -107.59 -43.91 4.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -87.33 89.03 7.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -159.8 157.03 25.49 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.59 0.71 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -26.31 27.7 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.264 . . . . 0.0 112.295 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.8 m -93.49 -14.79 26.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.673 HD13 ' O ' ' A' ' 48' ' ' HIS . 67.4 mt -122.1 79.2 1.56 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.48 145.6 27.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -150.55 151.51 30.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.58 0.705 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -32.94 17.65 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.329 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 23.7 mt -66.82 87.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.15 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.5 p -127.59 156.58 42.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -158.78 -160.34 10.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.12 39.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.1 t -59.0 136.07 57.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.7 m -137.85 124.99 21.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.536 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 1' ' ' GLY . 60.3 p 36.98 41.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 110.824 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.3 t -102.76 -47.42 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.97 -173.83 39.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -130.85 -46.29 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 m -143.85 150.16 38.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.02 -45.56 95.33 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.433 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.4 m -82.15 84.7 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.874 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t -124.14 80.23 58.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.657 0.742 . . . . 0.0 110.84 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 82.24 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.8 m -111.3 -53.33 2.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.606 HD12 ' NH2' ' A' ' 35' ' ' ARG . 15.6 mt -76.32 -26.75 56.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.0 mm? -77.92 -29.66 50.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.517 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 6.9 mm-40 -42.17 -58.77 3.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.647 0.737 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.9 Cg_endo -69.77 -39.45 6.47 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.808 HD21 ' HB3' ' A' ' 41' ' ' ALA . 91.4 mt -72.87 -13.52 61.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' LEU . 74.6 mt -96.4 -46.51 6.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.77 -19.82 65.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmt -76.25 -24.58 54.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.09 -26.25 5.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.516 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -66.85 140.37 96.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.671 0.748 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.638 ' CG1' HD11 ' A' ' 27' ' ' LEU . 24.1 t -86.34 -57.84 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.46 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -50.0 -34.69 21.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.1 m -75.57 -56.4 4.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.477 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . . . -52.31 -35.6 50.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.638 HD11 ' CG1' ' A' ' 23' ' ' VAL . 11.5 mt -67.06 -45.95 75.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -56.97 -50.37 72.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.459 ' HA ' ' CE3' ' A' ' 44' ' ' TRP . . . -61.1 -40.29 93.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.409 ' HG ' ' CD1' ' A' ' 16' ' ' LEU . 31.4 mt -62.96 -58.91 5.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.46 -30.82 61.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.7 -53.38 28.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.431 HG21 ' C ' ' A' ' 40' ' ' GLU . 43.7 p -69.99 -23.32 63.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.35 43.43 2.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.606 ' NH2' HD12 ' A' ' 12' ' ' LEU . 64.3 mtp85 38.55 45.37 0.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 110.906 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -79.73 -65.13 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.778 HG23 ' H ' ' A' ' 40' ' ' GLU . 6.1 t -152.33 158.96 43.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.64 -42.94 68.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 42' ' ' LEU . 9.6 tp10 -59.59 -52.65 64.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.778 ' H ' HG23 ' A' ' 37' ' ' THR . 2.2 mm-40 -38.65 -44.74 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.808 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -57.69 -41.06 80.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.3 mm? -62.62 -36.27 82.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.49 -25.97 64.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.094 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.689 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 70.0 t90 -87.32 -29.65 21.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.7 mt -77.56 -37.93 49.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -70.15 -10.06 57.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.07 -22.05 12.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.689 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 5.8 m-70 -95.2 -45.29 7.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 48' ' ' HIS . 1.2 t -34.39 -38.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -88.78 65.76 7.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.427 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 3.1 t70 -141.63 141.15 21.69 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.57 0.7 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 51' ' ' ASP . 54.0 Cg_endo -69.73 -7.02 19.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.367 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 64.8 m -94.05 -15.21 25.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 55' ' ' ASP . 27.5 mt -110.07 81.89 1.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 54' ' ' LEU . 28.8 t70 -34.4 -65.04 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -149.69 148.13 24.77 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.581 0.705 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -46.43 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.233 . . . . 0.0 112.348 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.3 mm -82.41 143.71 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.5 t -120.75 96.26 5.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 143.2 81.94 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.525 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 168.13 22.44 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.0 p -125.22 -47.38 1.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m -60.21 93.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.495 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m 64.77 42.28 4.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 0.0 110.867 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -55.48 110.15 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.821 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.73 -82.64 1.65 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.51 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.1 p -97.32 163.95 12.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.2 p -101.73 -51.27 3.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.815 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.06 137.21 47.21 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.3 m -102.69 -31.38 10.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 110.821 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.2 p -81.37 147.47 60.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.625 0.726 . . . . 0.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.435 ' HA ' HD23 ' A' ' 13' ' ' LEU . 53.0 Cg_endo -69.82 2.94 3.11 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.677 2.251 . . . . 0.0 112.295 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 t -43.3 -50.05 6.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.827 HD23 HD22 ' A' ' 30' ' ' LEU . 9.9 mp -74.46 -22.59 59.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.4 mm? -80.44 -25.56 38.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.528 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 12.6 mt-10 -43.61 -58.47 4.43 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.703 0.764 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.5 Cg_endo -69.79 -37.52 8.98 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.235 . . . . 0.0 112.327 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.672 HD21 ' HB3' ' A' ' 41' ' ' ALA . 94.0 mt -74.96 -13.75 60.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 13' ' ' LEU . 74.7 mt -96.78 -47.26 5.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.47 -24.26 67.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.421 ' CG ' ' O ' ' A' ' 15' ' ' PRO . 2.2 mmt -71.53 -26.2 62.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.63 -33.73 2.8 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -60.48 139.17 92.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.671 0.748 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -163.82 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.645 ' CG1' HD11 ' A' ' 27' ' ' LEU . 23.6 t -85.54 -57.11 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.417 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -51.22 -35.68 37.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.438 HG22 ' CD2' ' A' ' 45' ' ' LEU . 99.5 m -75.87 -54.36 7.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.34 -34.04 60.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.645 HD11 ' CG1' ' A' ' 23' ' ' VAL . 12.1 mt -68.73 -42.62 77.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -57.54 -50.29 73.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.94 -42.29 93.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.827 HD22 HD23 ' A' ' 12' ' ' LEU . 62.0 mt -62.76 -54.69 35.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.16 -33.76 73.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.63 -53.72 14.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.421 HG21 ' C ' ' A' ' 40' ' ' GLU . 55.7 p -60.0 -50.93 71.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.12 33.09 0.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.433 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.457 ' HD3' ' N ' ' A' ' 35' ' ' ARG . 1.3 mpp_? 41.7 38.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.366 . . . . 0.0 110.877 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -82.58 -69.51 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.419 HG23 ' H ' ' A' ' 40' ' ' GLU . 0.8 OUTLIER -141.06 157.76 44.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.15 -43.62 82.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.084 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 42' ' ' LEU . 24.5 tt0 -53.17 -56.79 13.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.421 ' C ' HG21 ' A' ' 33' ' ' THR . 5.0 mm-40 -38.14 -45.21 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.672 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -56.08 -42.72 77.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.1 mm? -60.65 -38.83 86.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.92 -25.31 67.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.787 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 35.6 t90 -90.28 -27.76 19.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.438 ' CD2' HG22 ' A' ' 25' ' ' THR . 70.2 mt -78.42 -36.14 46.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -71.78 -17.32 62.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -99.08 -29.23 12.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.787 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 12.6 m-70 -90.75 -48.22 7.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.8 t -41.31 -24.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' HIS . 5.4 m-20 -89.42 50.09 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.36 144.03 51.61 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 0.0 110.887 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -16.32 37.56 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.741 2.294 . . . . 0.0 112.34 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.3 m -99.55 -15.35 18.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.476 HD13 ' HB3' ' A' ' 48' ' ' HIS . 78.5 mt -107.52 45.83 0.98 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -43.37 126.39 4.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -109.46 144.85 30.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.584 0.707 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 59' ' ' SER . 54.1 Cg_endo -69.69 -42.23 3.66 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.67 2.247 . . . . 0.0 112.373 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.658 ' H ' HD12 ' A' ' 58' ' ' ILE . 4.7 mp -38.21 95.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 57' ' ' PRO . 5.5 t -51.2 103.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.87 -158.29 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -6.22 18.08 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.343 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 t 56.74 48.39 16.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 62.9 m -61.0 156.92 16.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.53 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -74.52 -53.8 8.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 110.831 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 p -51.97 175.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -176.82 -142.73 4.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 4' ' ' GLY . 80.5 p -35.3 -39.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.893 0.378 . . . . 0.0 110.873 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 p -42.94 122.99 2.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 8' ' ' SER . . . -84.14 -133.61 2.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 7' ' ' GLY . 58.0 m -37.07 140.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.882 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.625 ' O ' HD23 ' A' ' 13' ' ' LEU . 46.3 m -144.69 149.0 41.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.649 0.738 . . . . 0.0 110.833 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -22.1 32.31 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.295 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 m -52.88 -52.25 58.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.814 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.449 HD12 ' CD2' ' A' ' 30' ' ' LEU . 4.1 mm? -64.06 -14.16 52.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 9' ' ' SER . 3.4 mm? -97.39 -26.69 14.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.514 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 7.2 mt-10 -42.28 -58.87 3.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.668 0.747 . . . . 0.0 110.9 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.5 Cg_endo -69.78 -39.52 6.36 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.63 2.22 . . . . 0.0 112.365 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.712 HD21 ' HB3' ' A' ' 41' ' ' ALA . 85.6 mt -72.82 -13.46 61.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . 72.3 mt -96.57 -46.73 6.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.4 -21.57 66.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmt -74.33 -25.39 59.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.14 -26.31 4.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.433 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -68.7 138.83 90.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.664 0.745 . . . . 0.0 110.91 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -163.7 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.648 2.232 . . . . 0.0 112.337 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.645 ' CG1' HD11 ' A' ' 27' ' ' LEU . 22.7 t -86.6 -58.14 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.45 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -48.4 -33.33 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.0 m -77.55 -58.81 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.45 -34.49 16.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.645 HD11 ' CG1' ' A' ' 23' ' ' VAL . 10.5 mt -67.83 -41.28 83.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -59.16 -50.2 74.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.538 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -66.95 -39.28 87.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.449 ' CD2' HD12 ' A' ' 12' ' ' LEU . 15.5 mt -55.89 -63.08 1.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.38 -35.89 70.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.417 ' HB1' ' CD1' ' A' ' 44' ' ' TRP . . . -58.01 -49.2 77.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.072 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.461 HG21 ' C ' ' A' ' 40' ' ' GLU . 72.2 p -76.57 -34.0 58.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 111.08 40.9 1.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.459 ' CD ' ' N ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER 36.17 44.06 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 110.907 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -82.54 -60.89 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -153.9 136.83 15.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 37' ' ' THR . . . -37.0 -45.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.084 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -52.39 -54.93 25.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.461 ' C ' HG21 ' A' ' 33' ' ' THR . 2.1 mm-40 -40.29 -44.75 1.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.712 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -56.81 -41.94 78.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.126 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.45 -38.14 86.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.09 -28.15 67.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.679 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 36.8 t90 -84.51 -29.78 25.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.474 HD23 ' HZ3' ' A' ' 44' ' ' TRP . 76.7 mt -77.01 -37.74 54.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -66.42 -31.37 72.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -85.31 -33.41 22.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.698 ' HB3' HD13 ' A' ' 54' ' ' LEU . 10.0 m-70 -82.96 -59.83 2.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 48' ' ' HIS . 49.1 t -34.47 -40.15 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -37.83 -50.82 1.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.433 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 2.9 t70 -45.77 141.16 4.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.64 0.733 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 51' ' ' ASP . 54.2 Cg_endo -69.73 -11.02 30.01 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.656 2.237 . . . . 0.0 112.367 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.1 m -99.33 -15.39 18.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.698 HD13 ' HB3' ' A' ' 48' ' ' HIS . 18.7 mt -105.02 41.32 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.62 167.67 21.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.86 153.48 80.93 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.608 0.718 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -3.52 12.16 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.723 2.282 . . . . 0.0 112.351 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.7 mt -75.86 133.52 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.5 t -97.19 137.62 35.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 57.54 83.4 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -16.99 38.08 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.2 t -139.77 141.3 36.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.825 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.7 t -135.98 137.9 41.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.522 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -155.84 159.32 39.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 110.801 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m -80.81 167.9 19.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.8 -121.76 19.69 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.3 p -127.97 88.0 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.856 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 t -147.28 143.83 28.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.23 -123.36 7.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.458 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 81.3 p -145.63 173.36 12.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.2 p -164.1 144.46 6.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.646 0.736 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 2.54 3.46 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.263 . . . . 0.0 112.37 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 m -63.27 -56.08 19.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.829 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.7 mt -72.3 -32.37 66.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.8 mm? -73.27 -34.42 65.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 4.2 mm-40 -42.12 -58.57 3.31 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.618 0.723 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.0 Cg_endo -69.73 -39.7 6.26 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.639 HD21 ' HB3' ' A' ' 41' ' ' ALA . 94.3 mt -72.77 -13.46 61.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LEU . 75.7 mt -96.43 -47.13 6.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.66 -18.71 64.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.2 mmm -77.27 -26.08 52.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.24 -25.9 4.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -68.85 138.34 90.36 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.63 0.729 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -163.81 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.728 2.285 . . . . 0.0 112.373 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.625 ' CG1' HD11 ' A' ' 27' ' ' LEU . 23.3 t -86.06 -57.69 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.484 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.86 -36.02 25.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.474 HG22 ' CD2' ' A' ' 45' ' ' LEU . 54.2 m -73.67 -57.28 4.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.39 -37.85 50.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.625 HD11 ' CG1' ' A' ' 23' ' ' VAL . 11.6 mt -64.16 -42.2 96.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.9 mtmm -60.63 -49.99 75.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.447 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -64.18 -37.92 89.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.421 HD11 HD12 ' A' ' 16' ' ' LEU . 30.1 mt -65.95 -60.4 2.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.5 -25.83 60.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.17 -39.5 33.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.428 HG21 ' O ' ' A' ' 40' ' ' GLU . 57.6 p -83.02 0.83 43.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 80.05 42.77 10.44 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 34' ' ' GLY . 1.3 mpp_? 34.8 48.7 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -80.15 -63.97 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.68 HG22 ' OE2' ' A' ' 40' ' ' GLU . 8.9 t -169.63 166.04 10.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.438 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -49.11 -59.39 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -42.14 -57.71 2.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.68 ' OE2' HG22 ' A' ' 37' ' ' THR . 0.3 OUTLIER -46.06 -43.3 14.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.639 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -61.47 -40.83 95.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.568 ' HA ' HD12 ' A' ' 45' ' ' LEU . 3.7 mm? -59.15 -39.22 81.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.21 -23.81 67.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.095 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.447 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 46.3 t90 -93.47 -26.71 17.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.568 HD12 ' HA ' ' A' ' 42' ' ' LEU . 9.6 mt -76.75 -34.53 58.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -67.2 -25.06 65.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -96.85 -31.99 12.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.768 ' O ' HD13 ' A' ' 54' ' ' LEU . 37.7 m-70 -103.04 37.73 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.2 t -109.2 -37.57 5.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -81.67 50.68 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.529 ' HB2' HD12 ' A' ' 54' ' ' LEU . 65.9 m-20 -127.45 143.91 49.0 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.603 0.716 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -39.72 6.14 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.242 . . . . 0.0 112.337 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.6 m -71.28 -12.75 61.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.768 HD13 ' O ' ' A' ' 48' ' ' HIS . 44.5 mt -110.31 41.75 1.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -46.46 138.29 5.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -125.05 151.42 69.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.719 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -34.49 14.37 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.694 2.263 . . . . 0.0 112.322 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 25.6 mt -48.63 125.49 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 60' ' ' GLY . 5.4 m 61.37 37.9 16.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 59' ' ' SER . . . 33.93 -96.36 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.432 ' N ' ' O ' ' A' ' 59' ' ' SER . 53.6 Cg_endo -69.74 103.66 1.19 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.675 2.25 . . . . 0.0 112.324 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.7 m -99.84 33.75 2.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.6 p -81.05 162.82 23.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.519 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 m -107.06 168.74 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.851 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.3 m -125.85 118.24 25.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.3 178.23 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 m -65.82 -62.8 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.845 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 m -54.86 113.88 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.64 166.83 12.28 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.462 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.3 t -163.48 136.77 5.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.365 . . . . 0.0 110.848 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.7 p -116.65 144.21 32.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 0.0 110.883 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 2.59 3.38 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.72 2.28 . . . . 0.0 112.341 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.5 m -57.7 -57.66 11.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.856 HD13 HD22 ' A' ' 30' ' ' LEU . 13.6 mt -66.21 -13.22 59.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -92.48 -26.07 18.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.853 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.519 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 1.7 mm-40 -42.3 -58.76 3.25 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.9 Cg_endo -69.73 -39.58 6.39 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.662 2.241 . . . . 0.0 112.358 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.662 HD21 ' HB3' ' A' ' 41' ' ' ALA . 80.4 mt -72.78 -13.47 61.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 13' ' ' LEU . 72.5 mt -96.7 -47.27 5.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.56 -19.77 65.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.1 mmt -76.8 -25.84 53.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.73 ' HA3' HD11 ' A' ' 58' ' ' ILE . . . 128.95 -28.85 4.06 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -64.13 140.37 97.89 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.642 0.734 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -163.81 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.347 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.663 ' CG1' HD11 ' A' ' 27' ' ' LEU . 16.5 t -87.31 -56.82 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.431 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.53 -37.69 40.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.591 HG22 ' CD2' ' A' ' 45' ' ' LEU . 89.2 m -74.31 -55.43 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.04 -33.26 51.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.663 HD11 ' CG1' ' A' ' 23' ' ' VAL . 11.2 mt -69.66 -45.99 67.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm -53.44 -49.96 66.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.23 -40.63 96.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.856 HD22 HD13 ' A' ' 12' ' ' LEU . 22.6 mt -59.11 -57.55 12.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.91 -31.66 72.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.429 ' HB1' ' NE1' ' A' ' 44' ' ' TRP . . . -66.86 -48.9 67.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 73.2 p -69.92 -47.22 63.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.95 37.21 0.51 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.455 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 43.21 41.19 2.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.378 . . . . 0.0 110.927 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -78.4 -72.5 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.686 HG23 ' H ' ' A' ' 40' ' ' GLU . 4.3 t -148.5 158.17 43.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.171 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.92 -38.15 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 42' ' ' LEU . 2.3 tp10 -61.92 -53.8 50.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.686 ' H ' HG23 ' A' ' 37' ' ' THR . 4.7 mm-40 -40.59 -42.78 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.662 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -59.72 -39.68 85.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.5 mm? -63.14 -36.9 85.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.41 -24.87 63.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.792 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 21.7 t90 -90.72 -26.71 19.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.591 ' CD2' HG22 ' A' ' 25' ' ' THR . 36.2 mt -78.77 -34.96 45.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -74.54 -15.2 60.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.45 -27.46 13.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.792 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 16.9 m-70 -94.09 -47.73 6.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.416 ' C ' ' O ' ' A' ' 48' ' ' HIS . 2.6 t -36.17 -40.27 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.419 ' CG ' ' N ' ' A' ' 51' ' ' ASP . 4.5 p-10 -39.8 -48.86 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.433 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 4.7 t70 -58.74 141.16 85.22 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.566 0.698 . . . . 0.0 110.891 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 51' ' ' ASP . 53.2 Cg_endo -69.76 -32.27 18.9 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 73.5 m -58.49 -13.33 5.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.44 ' CD1' ' HB3' ' A' ' 48' ' ' HIS . 24.1 mt -116.54 82.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -80.57 164.8 22.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -139.38 148.31 56.14 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.717 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -10.75 29.3 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.694 2.263 . . . . 0.0 112.354 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.73 HD11 ' HA3' ' A' ' 20' ' ' GLY . 77.6 mt -81.18 148.85 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 m -108.49 -49.0 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.68 -158.68 37.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -34.2 14.93 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.714 2.276 . . . . 0.0 112.308 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.7 t -98.0 157.98 15.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.7 t -129.32 -55.89 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.48 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -133.69 152.32 51.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.908 0.385 . . . . 0.0 110.886 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -55.8 127.52 30.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.12 -101.3 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.497 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 t -150.31 124.59 9.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.387 . . . . 0.0 110.83 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.5 m -99.14 92.51 5.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.827 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.39 -45.43 1.34 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 82.5 p -78.17 124.85 28.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 110.87 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.2 t -145.73 142.84 18.44 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.66 0.743 . . . . 0.0 110.831 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 96.23 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.715 2.277 . . . . 0.0 112.34 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 t -123.79 -65.33 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.683 HD12 ' CZ ' ' A' ' 35' ' ' ARG . 10.4 mt -74.75 -28.51 60.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.945 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 17' ' ' LEU . 4.1 mm? -75.07 -32.56 61.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.525 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 1.7 mm-40 -42.65 -58.77 3.43 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.664 0.745 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.3 Cg_endo -69.76 -39.45 6.5 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.316 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.767 HD21 ' HB3' ' A' ' 41' ' ' ALA . 87.9 mt -72.8 -13.85 61.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 13' ' ' LEU . 72.2 mt -96.25 -47.34 6.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.92 -19.16 63.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.1 mmt -76.06 -25.36 55.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.09 -24.45 5.07 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -69.01 139.7 90.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.643 0.735 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -163.77 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.26 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.614 ' CG1' HD11 ' A' ' 27' ' ' LEU . 25.1 t -87.07 -59.58 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.45 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -46.5 -37.08 7.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.548 HG22 HD21 ' A' ' 45' ' ' LEU . 53.8 m -75.34 -58.33 3.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.0 -34.56 13.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.614 HD11 ' CG1' ' A' ' 23' ' ' VAL . 10.5 mt -67.88 -44.36 77.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -58.12 -50.39 73.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.427 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -62.24 -39.12 91.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 12' ' ' LEU . 19.4 mt -65.35 -62.8 1.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.69 -21.49 40.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.17 -53.28 7.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.414 HG21 ' O ' ' A' ' 40' ' ' GLU . 60.2 p -69.58 -12.04 61.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 91.65 41.8 4.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.683 ' CZ ' HD12 ' A' ' 12' ' ' LEU . 12.0 mmm180 35.1 54.89 0.76 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 110.903 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -89.89 -67.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.495 HG23 ' H ' ' A' ' 40' ' ' GLU . 7.1 t -155.83 141.04 17.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' THR . . . -34.0 -52.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.108 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -46.51 -57.42 4.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.866 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.495 ' H ' HG23 ' A' ' 37' ' ' THR . 3.3 mm-40 -41.14 -40.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.767 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -62.38 -37.28 85.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.065 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.2 mm? -65.61 -36.52 83.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.24 -23.6 62.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.427 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 82.1 t90 -90.42 -32.65 16.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.548 HD21 HG22 ' A' ' 25' ' ' THR . 37.7 mt -72.48 -40.7 66.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -66.96 -11.89 57.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.83 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.7 -29.37 7.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.42 ' O ' HD13 ' A' ' 54' ' ' LEU . 33.2 m-70 -110.83 42.59 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.831 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.0 p -100.75 -41.01 7.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -103.06 91.05 3.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -144.0 143.92 24.56 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.596 0.712 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -5.18 15.57 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.1 t -110.81 -11.46 14.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 48' ' ' HIS . 78.4 mt -109.36 -44.93 3.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 48.96 38.06 11.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.43 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 4.6 t70 -40.48 141.16 0.91 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.639 0.733 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.8 Cg_endo -69.75 -32.12 19.24 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.352 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.8 mm -57.65 -43.45 83.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.1 t -39.39 -54.82 1.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.48 83.42 1.73 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 168.57 21.26 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.346 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.5 m -87.39 -49.21 7.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.9 p -89.05 -53.39 4.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.455 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.9 t -66.35 124.18 22.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.888 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.9 t -125.53 116.96 22.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.98 -159.93 32.68 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 m -85.58 42.96 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.897 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.0 p -85.37 130.69 34.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.819 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.59 -139.11 9.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.435 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.0 p -146.02 142.42 28.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.901 0.381 . . . . 0.0 110.882 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -90.64 146.46 34.23 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.641 0.734 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 13' ' ' LEU . 53.8 Cg_endo -69.77 0.45 5.64 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.649 2.232 . . . . 0.0 112.375 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.5 m -40.63 -54.48 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.6 mt -72.92 -23.86 60.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.543 ' CD1' ' HB3' ' A' ' 26' ' ' ALA . 3.4 mm? -74.65 -28.06 60.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.518 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 10.8 mt-10 -41.87 -58.57 3.16 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.607 0.718 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.5 Cg_endo -69.78 -39.86 5.98 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.319 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.731 HD21 ' HB3' ' A' ' 41' ' ' ALA . 91.2 mt -72.53 -13.4 61.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 13' ' ' LEU . 75.3 mt -96.31 -45.84 6.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.0 -23.71 67.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmt -72.54 -25.37 61.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.35 -25.77 5.07 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -68.62 138.76 91.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.445 ' HD3' ' CG ' ' A' ' 57' ' ' PRO . 53.3 Cg_endo -69.83 -163.8 0.12 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.611 ' CG1' HD11 ' A' ' 27' ' ' LEU . 24.9 t -86.78 -59.88 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -45.07 -34.25 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.7 m -77.45 -60.97 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.543 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . . . -47.2 -33.18 5.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.611 HD11 ' CG1' ' A' ' 23' ' ' VAL . 12.3 mt -69.11 -42.39 76.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm -58.53 -49.99 75.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.446 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -64.33 -39.39 93.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.69 -54.05 45.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.82 -34.61 76.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.111 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.91 -51.8 43.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 29' ' ' ALA . 78.8 p -65.07 -48.6 73.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 126.16 38.96 0.44 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 34' ' ' GLY . 25.9 mtt-85 36.02 42.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.349 . . . . 0.0 110.875 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -84.37 -63.0 1.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.769 HG23 ' H ' ' A' ' 40' ' ' GLU . 10.2 t -146.65 152.08 38.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.84 -39.42 65.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.069 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -57.73 -51.4 69.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.769 ' H ' HG23 ' A' ' 37' ' ' THR . 3.2 mm-40 -39.45 -46.99 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.731 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -54.57 -43.98 72.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.51 -39.72 84.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.53 -26.91 66.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.064 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.741 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 59.1 t90 -88.37 -26.89 21.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' A' ' 49' ' ' CYS . 10.9 mt -79.37 -34.07 42.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -68.9 -21.08 64.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -98.13 -32.63 11.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.741 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 10.8 m-70 -86.06 -50.34 7.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' HIS . 11.7 t -34.39 -38.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.511 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 0.4 OUTLIER -81.38 70.96 8.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.72 ' HB2' HD12 ' A' ' 54' ' ' LEU . 3.3 m-20 -146.77 154.28 47.48 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.565 0.697 . . . . 0.0 110.884 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -29.99 23.03 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.335 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.7 m -110.01 76.23 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.72 HD12 ' HB2' ' A' ' 51' ' ' ASP . 12.0 mt -159.2 105.99 1.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -91.73 118.73 30.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.1 p30 -150.53 154.0 34.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.565 0.698 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.445 ' CG ' ' HD3' ' A' ' 22' ' ' PRO . 53.7 Cg_endo -69.77 -11.17 30.27 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.362 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 49.9 mm -50.54 97.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 m -138.54 119.47 14.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.06 83.42 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.454 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -176.16 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.0 p -93.13 106.95 18.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 62.3 p -157.91 138.46 12.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.537 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 m -142.26 161.75 37.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.367 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 p -172.36 172.64 4.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.43 -176.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -51.1 170.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -63.83 143.69 57.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.47 -147.37 14.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.3 p -148.45 112.23 5.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.36 . . . . 0.0 110.836 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -101.07 144.17 28.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.669 0.747 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 1.95 3.97 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.264 . . . . 0.0 112.335 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -52.97 -50.64 63.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.825 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.6 mt -72.85 -24.68 60.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.529 ' CD1' ' HB3' ' A' ' 26' ' ' ALA . 2.4 mm? -80.45 -25.59 38.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.52 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 2.4 mm-40 -42.14 -58.69 3.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.651 0.738 . . . . 0.0 110.865 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.7 Cg_endo -69.76 -39.59 6.33 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.671 HD21 ' HB3' ' A' ' 41' ' ' ALA . 75.0 mt -72.83 -13.37 61.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 13' ' ' LEU . 74.7 mt -96.55 -46.6 6.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.43 -21.83 66.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmt -74.97 -25.23 58.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.77 -31.42 3.37 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.495 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -63.76 139.68 97.67 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.622 0.725 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -163.76 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.731 2.287 . . . . 0.0 112.327 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.62 ' CG1' HD11 ' A' ' 27' ' ' LEU . 16.9 t -85.95 -59.27 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.463 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -47.6 -38.57 14.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.7 m -72.81 -56.94 4.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.529 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . . . -51.25 -34.2 31.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.62 HD11 ' CG1' ' A' ' 23' ' ' VAL . 10.1 mt -68.45 -45.41 72.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -54.94 -50.0 69.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.53 -44.16 97.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.8 mt -59.56 -53.02 62.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.61 -37.7 82.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.71 -61.43 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.0 p -55.73 -52.89 62.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 130.58 43.96 0.18 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' GLY . 0.9 OUTLIER 36.7 38.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.352 . . . . 0.0 110.825 -179.849 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -77.25 -66.44 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.534 HG23 ' H ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -149.2 168.33 23.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.4 ' HB2' ' HG3' ' A' ' 15' ' ' PRO . . . -65.25 -34.68 78.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 42' ' ' LEU . 2.2 tp10 -63.49 -54.16 40.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.534 ' H ' HG23 ' A' ' 37' ' ' THR . 2.0 mm-40 -40.14 -42.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.671 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -59.57 -40.01 85.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.2 mm? -62.65 -38.06 88.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.6 -24.46 63.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.061 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.641 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 30.1 t90 -90.54 -26.4 19.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.5 mt -79.84 -34.2 39.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -74.55 -12.9 60.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -105.88 -21.14 13.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.641 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 16.3 m-70 -99.13 -46.63 5.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.1 t -39.7 -52.43 2.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -43.73 -40.21 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.422 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 4.5 t70 -46.38 141.15 5.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 110.843 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 51' ' ' ASP . 53.8 Cg_endo -69.79 -17.39 37.47 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.704 2.269 . . . . 0.0 112.347 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -81.99 -12.82 58.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 48' ' ' HIS . 28.8 mt -122.1 87.09 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -91.71 127.85 37.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -100.94 143.93 27.55 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.632 0.73 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -27.7 25.92 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.692 2.262 . . . . 0.0 112.307 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 75.2 mt -43.53 143.84 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.7 m -113.3 117.88 33.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.38 -67.81 0.26 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -30.47 22.5 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.716 2.277 . . . . 0.0 112.331 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.7 t -92.57 152.83 19.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 t -67.64 113.93 5.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.824 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.6 p -101.49 89.15 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.814 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 m -97.26 153.45 18.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.76 179.11 1.51 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.2 p -149.29 105.36 3.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.89 0.376 . . . . 0.0 110.815 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 m -116.67 160.44 20.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.02 -138.74 1.64 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.0 m -93.78 90.83 6.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.904 0.383 . . . . 0.0 110.839 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p -130.92 144.75 54.8 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.662 0.744 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 104.89 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -129.85 -55.83 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.692 HD23 HD22 ' A' ' 30' ' ' LEU . 10.8 mp -79.17 -31.09 43.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.5 mm? -72.68 -31.28 64.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.53 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 1.5 mm-40 -42.05 -58.47 3.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.719 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.9 Cg_endo -69.77 -39.56 6.34 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.655 HD21 ' HB3' ' A' ' 41' ' ' ALA . 97.4 mt -72.96 -13.27 61.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' LEU . 78.4 mt -97.35 -48.98 5.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.95 -18.35 63.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.068 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.417 ' CG ' ' O ' ' A' ' 15' ' ' PRO . 4.4 mmm -76.82 -24.47 52.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.11 -31.61 3.13 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -65.27 138.58 97.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.668 0.747 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -163.65 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.358 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.686 ' CG1' HD11 ' A' ' 27' ' ' LEU . 19.7 t -84.67 -55.32 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.181 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.425 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -53.45 -35.4 60.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.9 m -73.7 -54.05 8.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.97 -35.66 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.686 HD11 ' CG1' ' A' ' 23' ' ' VAL . 12.1 mt -67.92 -36.05 79.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -57.3 -56.93 15.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.451 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -61.98 -37.42 84.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.067 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.692 HD22 HD23 ' A' ' 12' ' ' LEU . 41.1 mt -59.87 -56.3 23.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.48 -34.85 78.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.03 -51.09 61.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.3 p -70.54 -59.11 3.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.14 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 138.93 43.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.525 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 34' ' ' GLY . 75.6 mtp85 34.77 45.09 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.352 . . . . 0.0 110.881 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -83.84 -52.05 6.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.655 HG22 ' CD ' ' A' ' 40' ' ' GLU . 2.4 t -173.76 150.59 1.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.529 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -42.15 -57.54 2.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.042 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -38.84 -60.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.655 ' CD ' HG22 ' A' ' 37' ' ' THR . 0.3 OUTLIER -42.97 -46.19 5.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.655 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -58.31 -45.71 87.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.449 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 3.6 mm? -56.19 -35.82 67.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.5 -30.28 68.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.665 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 21.9 t90 -84.44 -24.8 29.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.489 HD23 ' CZ3' ' A' ' 44' ' ' TRP . 46.9 mt -83.34 -32.7 26.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -72.57 -21.47 61.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -97.8 -30.15 12.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.665 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 9.0 m-70 -85.58 -49.19 8.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.6 t -38.21 -38.22 0.33 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -74.23 73.41 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -169.13 145.18 2.78 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.58 0.705 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -35.61 12.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.304 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.3 m -63.25 -14.63 51.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.3 mt -113.3 78.52 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -63.32 148.04 49.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 10.3 t70 -167.43 139.73 2.68 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.613 0.72 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.9 Cg_endo -69.78 -46.21 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.382 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.3 mt -45.85 -56.35 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.7 m -38.41 106.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -95.2 -94.18 1.71 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.465 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 92.0 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.685 2.257 . . . . 0.0 112.311 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.6 p -108.36 157.75 18.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 97.5 p -47.12 112.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.468 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 m -41.03 -51.7 3.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.869 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -42.42 -52.71 4.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.42 147.7 6.54 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.3 m -112.65 176.26 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.827 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 t -122.37 149.93 43.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.64 168.03 39.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.531 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 76.3 p -154.13 124.27 6.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.878 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -54.59 158.59 4.09 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 110.873 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 97.38 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.646 2.231 . . . . 0.0 112.335 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 t -124.03 -61.25 1.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mt -72.06 -34.56 68.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.2 mm? -72.84 -31.85 65.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.529 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 6.0 mm-40 -42.35 -58.48 3.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.644 ' CG ' ' HB2' ' A' ' 38' ' ' ALA . 54.0 Cg_endo -69.73 -39.68 6.28 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.706 2.271 . . . . 0.0 112.363 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.769 HD21 ' HB3' ' A' ' 41' ' ' ALA . 97.0 mt -72.66 -13.72 61.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . 75.1 mt -96.04 -46.87 6.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.24 -19.94 65.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.6 mmm -75.16 -24.02 57.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.23 -24.66 5.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.545 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.67 138.28 90.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.639 0.733 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -163.73 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.718 2.279 . . . . 0.0 112.353 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.67 ' CG1' HD11 ' A' ' 27' ' ' LEU . 20.7 t -86.7 -61.09 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.58 -32.75 1.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 m -78.07 -61.46 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.56 -32.3 5.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.67 HD11 ' CG1' ' A' ' 23' ' ' VAL . 13.7 mt -71.58 -37.8 70.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HB3' ' CH2' ' A' ' 44' ' ' TRP . 24.6 mttt -56.03 -52.25 64.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.496 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -65.1 -45.92 83.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.076 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.9 mt -54.87 -58.17 8.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.38 -33.01 65.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.71 -72.32 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.5 p -44.37 -55.4 5.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.426 ' HA3' ' NZ ' ' A' ' 36' ' ' LYS . . . 135.85 30.55 0.32 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.4 mtt-85 49.37 26.78 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 110.889 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.426 ' NZ ' ' HA3' ' A' ' 34' ' ' GLY . 1.1 mptt -60.89 -57.75 11.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.425 HG22 ' OE2' ' A' ' 40' ' ' GLU . 11.1 t -173.8 164.21 4.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.644 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -49.01 -59.24 3.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.087 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -39.65 -59.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.425 ' OE2' HG22 ' A' ' 37' ' ' THR . 0.1 OUTLIER -44.23 -47.43 9.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.884 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.769 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -57.29 -44.46 84.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -56.23 -35.32 67.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.51 -32.22 72.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.747 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 69.2 t90 -83.45 -28.92 28.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.5 mt -76.24 -36.96 58.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -69.39 -22.06 63.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -95.4 -27.03 15.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.747 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 6.5 m-70 -92.32 -58.02 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.791 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 48' ' ' HIS . 13.7 p -35.07 -35.82 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 48' ' ' HIS . 15.2 t-20 -46.65 -51.25 16.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.01 144.0 21.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.624 0.726 . . . . 0.0 110.864 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -17.67 37.33 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.662 2.241 . . . . 0.0 112.349 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -67.76 -15.38 63.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 48' ' ' HIS . 51.9 mt -110.77 82.53 1.61 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -82.99 127.78 33.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -136.19 146.19 55.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -2.96 11.02 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.4 mt -55.64 110.26 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.3 m -72.36 -58.92 3.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -134.39 146.94 18.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 117.0 4.82 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.5 m -135.77 133.02 37.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.3 t -134.28 149.68 50.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.649 ' HB3' HD21 ' A' ' 30' ' ' LEU . 3.6 mm? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.832 0.348 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 17' ' ' LEU . 4.6 mm? -73.46 -32.03 64.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.522 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 10.4 mt-10 -42.44 -58.69 3.39 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.642 0.734 . . . . 0.0 110.84 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.1 Cg_endo -69.73 -39.55 6.44 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.754 HD21 ' HB3' ' A' ' 41' ' ' ALA . 87.8 mt -72.76 -13.76 61.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 13' ' ' LEU . 72.7 mt -95.95 -45.5 6.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.64 -22.04 66.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.5 mmm -74.43 -24.98 59.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.61 -27.99 4.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -64.08 140.76 97.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.636 0.732 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -163.76 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.32 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.656 ' CG1' HD11 ' A' ' 27' ' ' LEU . 17.3 t -88.46 -57.52 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.452 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.41 -37.9 27.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.3 m -74.9 -56.99 4.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.482 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . . . -50.86 -33.01 22.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.656 HD11 ' CG1' ' A' ' 23' ' ' VAL . 12.1 mt -69.88 -42.91 72.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -57.84 -50.74 72.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.416 ' O ' HG23 ' A' ' 33' ' ' THR . . . -60.99 -39.04 88.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.649 HD21 ' HB3' ' A' ' 12' ' ' LEU . 22.9 mt -62.83 -58.08 8.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.82 -28.48 66.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.76 -48.46 31.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 29' ' ' ALA . 58.0 p -73.35 -26.47 61.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.44 34.64 4.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 41.36 44.35 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -80.96 -47.3 13.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.677 HG23 ' H ' ' A' ' 40' ' ' GLU . 8.1 t -171.35 155.09 4.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.59 -49.37 56.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -50.93 -49.6 59.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.677 ' H ' HG23 ' A' ' 37' ' ' THR . 5.6 mm-40 -47.4 -48.59 26.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.754 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -53.16 -43.17 66.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.04 -38.91 84.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.01 -28.92 69.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 39.8 t90 -85.05 -29.32 25.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.6 mt -77.92 -37.92 46.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.918 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.5 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.874 0.368 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.55 ' CD1' ' HB3' ' A' ' 26' ' ' ALA . 3.2 mm? -85.51 -26.42 26.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.522 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 2.9 mm-40 -42.26 -58.84 3.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.602 0.715 . . . . 0.0 110.846 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.0 Cg_endo -69.77 -39.61 6.28 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.617 HD21 ' HB3' ' A' ' 41' ' ' ALA . 91.3 mt -72.79 -13.38 61.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LEU . 73.0 mt -96.76 -48.09 5.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.73 -20.21 65.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.7 mmm -76.24 -25.31 54.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.89 -34.65 2.52 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.521 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -62.27 139.81 96.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.643 0.735 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -163.76 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.658 ' CG1' HD11 ' A' ' 27' ' ' LEU . 15.9 t -87.05 -58.03 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.443 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.43 -38.54 29.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.446 HG22 ' CD2' ' A' ' 45' ' ' LEU . 86.4 m -74.04 -55.88 5.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.55 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . . . -51.32 -34.42 33.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.658 HD11 ' CG1' ' A' ' 23' ' ' VAL . 9.3 mt -69.68 -38.51 77.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -58.42 -53.8 54.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.817 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -59.47 -41.38 89.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.6 mt -61.3 -55.28 33.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.46 -34.87 73.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.63 -58.69 3.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.9 p -56.33 -54.38 46.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 137.76 39.81 0.12 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.451 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 34' ' ' GLY . 1.1 mpp_? 37.13 41.57 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.859 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -81.82 -67.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.82 HG22 ' CD ' ' A' ' 40' ' ' GLU . 9.9 t -156.59 170.68 21.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.141 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.85 -57.83 11.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.075 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -42.07 -58.53 2.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.82 ' CD ' HG22 ' A' ' 37' ' ' THR . 0.5 OUTLIER -42.95 -39.42 2.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.617 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -68.33 -39.61 81.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -59.3 -36.01 74.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.34 -25.84 65.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.079 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.817 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 59.2 t90 -90.48 -25.29 20.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.446 ' CD2' HG22 ' A' ' 25' ' ' THR . 9.4 mt -80.94 -30.72 35.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.837 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.723 HD13 HD22 ' A' ' 30' ' ' LEU . 11.7 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.809 0.338 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 17' ' ' LEU . 4.2 mm? -72.63 -34.06 67.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.516 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 3.3 mm-40 -42.95 -58.82 3.56 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.614 0.721 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.4 Cg_endo -69.76 -39.49 6.44 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.646 2.231 . . . . 0.0 112.348 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.691 HD21 ' HB3' ' A' ' 41' ' ' ALA . 89.7 mt -72.62 -14.11 61.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 13' ' ' LEU . 69.0 mt -95.7 -46.04 6.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.74 -19.98 65.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.2 mmt -76.57 -24.89 53.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.9 -25.82 5.2 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.464 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -66.79 139.62 95.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.623 0.725 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -163.76 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.631 ' CG1' HD11 ' A' ' 27' ' ' LEU . 26.2 t -87.7 -56.86 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.418 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.34 -35.58 28.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.5 m -75.48 -56.88 4.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.76 -35.34 43.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.631 HD11 ' CG1' ' A' ' 23' ' ' VAL . 13.9 mt -67.19 -42.42 84.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -57.82 -50.12 74.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.551 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -62.92 -41.99 99.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.723 HD22 HD13 ' A' ' 12' ' ' LEU . 19.7 mt -57.73 -58.2 9.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.39 -36.74 78.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.3 -52.51 61.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.3 p -67.53 -51.49 50.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 130.91 35.8 0.38 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 34' ' ' GLY . 6.0 mtt-85 35.94 41.51 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.913 0.387 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -83.39 -63.69 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.803 HG23 ' H ' ' A' ' 40' ' ' GLU . 8.8 t -143.35 149.27 37.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.15 -42.98 51.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 42' ' ' LEU . 20.9 tt0 -56.43 -53.91 51.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.803 ' H ' HG23 ' A' ' 37' ' ' THR . 2.2 mm-40 -37.24 -48.43 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.691 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -54.06 -44.25 70.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.7 mm? -60.06 -35.67 75.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.23 -27.12 64.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.551 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 73.1 t90 -86.79 -29.02 22.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.7 mt -77.79 -37.34 49.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.863 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.897 HD23 HD22 ' A' ' 30' ' ' LEU . 10.0 mp . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.803 0.335 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.7 mm? -82.6 -27.81 31.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.528 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 6.0 mt-10 -42.09 -58.75 3.13 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.677 0.751 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.1 Cg_endo -69.79 -39.52 6.36 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.68 HD21 ' HB3' ' A' ' 41' ' ' ALA . 86.4 mt -72.94 -13.22 61.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . 74.9 mt -97.1 -48.26 5.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.93 -19.38 64.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.8 mmm -76.1 -25.05 55.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.13 -29.87 3.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -63.54 139.97 97.69 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.645 0.736 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -163.79 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.722 2.281 . . . . 0.0 112.311 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.651 ' CG1' HD11 ' A' ' 27' ' ' LEU . 22.9 t -87.62 -56.56 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.41 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.8 -36.31 36.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.688 HG22 ' CD2' ' A' ' 45' ' ' LEU . 89.2 m -76.05 -55.77 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.47 -33.48 44.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.651 HD11 ' CG1' ' A' ' 23' ' ' VAL . 13.3 mt -69.31 -45.48 69.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -55.42 -50.22 70.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.87 92.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.897 HD22 HD23 ' A' ' 12' ' ' LEU . 54.2 mt -62.36 -56.13 21.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.71 -33.54 75.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.054 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.2 -49.55 66.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.3 p -68.23 -53.59 23.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.149 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 136.45 37.6 0.17 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 39.27 37.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.878 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -79.64 -63.37 1.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.405 HG23 ' H ' ' A' ' 40' ' ' GLU . 7.9 t -156.72 154.3 29.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.33 -56.04 7.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -39.15 -60.05 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.405 ' H ' HG23 ' A' ' 37' ' ' THR . 2.0 mm-40 -40.9 -47.05 2.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.68 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -53.69 -44.69 69.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.055 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.41 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 3.9 mm? -58.97 -39.27 81.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.48 -25.63 68.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.4 t90 -91.06 -31.08 16.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.688 ' CD2' HG22 ' A' ' 25' ' ' THR . 31.3 mt -72.3 -39.03 68.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.88 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.823 HD23 HD22 ' A' ' 30' ' ' LEU . 10.1 mp . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.9 0.381 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.54 HD22 ' N ' ' A' ' 13' ' ' LEU . 1.1 mm? -83.93 -28.82 27.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.529 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 14.5 mm-40 -41.78 -58.6 3.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.611 0.719 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.4 Cg_endo -69.77 -39.63 6.25 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.7 2.266 . . . . 0.0 112.294 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.601 HD21 ' HB3' ' A' ' 41' ' ' ALA . 78.6 mt -72.95 -13.01 61.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 13' ' ' LEU . 77.7 mt -97.38 -48.13 5.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.0 -18.58 63.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.0 mmm -77.09 -25.62 52.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.77 -31.36 3.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -64.39 139.94 97.84 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -163.81 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.709 2.273 . . . . 0.0 112.367 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.64 ' CG1' HD11 ' A' ' 27' ' ' LEU . 18.2 t -87.32 -56.58 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.408 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.83 -36.77 39.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.523 HG22 HD21 ' A' ' 45' ' ' LEU . 88.8 m -75.58 -55.69 5.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.64 -32.82 43.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.64 HD11 ' CG1' ' A' ' 23' ' ' VAL . 12.1 mt -70.05 -44.51 69.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -55.84 -50.45 70.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.477 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -61.15 -40.81 95.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.823 HD22 HD23 ' A' ' 12' ' ' LEU . 58.5 mt -60.92 -55.97 26.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.16 -34.8 72.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.103 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.73 -60.64 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.08 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.6 p -56.42 -50.33 71.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 133.1 41.38 0.18 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' GLY . 59.4 mtm180 35.81 44.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.854 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -86.74 -60.72 1.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.713 HG22 ' OE2' ' A' ' 40' ' ' GLU . 6.5 t -157.75 179.62 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.419 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -70.91 -50.68 32.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -46.62 -58.2 4.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.713 ' OE2' HG22 ' A' ' 37' ' ' THR . 0.5 OUTLIER -41.21 -43.56 2.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.601 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -62.54 -42.71 99.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.094 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -56.49 -36.04 68.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.39 -28.98 66.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.477 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 58.8 t90 -84.51 -25.83 28.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.523 HD21 HG22 ' A' ' 25' ' ' THR . 28.6 mt -83.3 -34.34 25.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.839 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' LEU . 2.7 mm? -72.16 -31.59 66.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.523 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 9.3 mt-10 -42.63 -58.82 3.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.682 0.753 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.4 Cg_endo -69.78 -39.56 6.33 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.266 . . . . 0.0 112.326 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.498 HD21 ' HB3' ' A' ' 41' ' ' ALA . 80.9 mt -72.69 -13.74 61.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LEU . 70.7 mt -96.19 -46.28 6.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.43 -21.14 66.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.7 mmm -75.64 -27.45 58.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.14 -26.56 3.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.524 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -67.89 139.07 93.06 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.665 0.745 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -163.8 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.634 ' CG1' HD11 ' A' ' 27' ' ' LEU . 25.4 t -88.06 -58.74 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.447 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -48.21 -36.88 14.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.691 HG22 HD21 ' A' ' 45' ' ' LEU . 95.4 m -74.53 -58.66 3.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.01 -36.92 18.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.634 HD11 ' CG1' ' A' ' 23' ' ' VAL . 10.8 mt -65.87 -46.35 78.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -57.12 -50.01 74.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.748 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -64.12 -41.21 97.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.436 ' HG ' ' CD1' ' A' ' 16' ' ' LEU . 17.9 mt -59.82 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.42 -30.22 18.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.067 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.49 -43.98 75.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 35' ' ' ARG . 22.3 p -96.78 53.46 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 44.55 20.7 0.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' GLY . 6.0 ptt180 34.51 46.7 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 0.0 110.829 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -75.41 -59.4 2.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.64 HG22 ' OE2' ' A' ' 40' ' ' GLU . 14.6 t -147.26 159.18 43.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.2 -53.32 21.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -40.91 -60.55 1.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.64 ' OE2' HG22 ' A' ' 37' ' ' THR . 0.4 OUTLIER -43.0 -47.39 5.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.498 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -55.33 -46.22 76.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.44 -40.25 71.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.16 -23.67 67.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.748 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 57.7 t90 -91.52 -30.01 16.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.691 HD21 HG22 ' A' ' 25' ' ' THR . 27.5 mt -73.59 -37.71 65.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 179.867 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.003 HD23 HD22 ' A' ' 30' ' ' LEU . 10.3 mp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.805 0.336 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 17' ' ' LEU . 2.5 mm? -83.86 -28.43 28.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.525 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 3.8 mm-40 -42.3 -58.79 3.22 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.696 0.76 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.568 ' CG ' ' HB2' ' A' ' 38' ' ' ALA . 53.8 Cg_endo -69.82 -39.35 6.49 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.674 HD21 ' HB3' ' A' ' 41' ' ' ALA . 82.1 mt -72.96 -13.46 61.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' LEU . 73.6 mt -96.72 -46.67 6.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.28 -23.66 67.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.2 mmm -72.26 -25.71 61.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.83 -33.01 2.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.15 140.13 94.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.701 0.763 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -163.74 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.262 . . . . 0.0 112.329 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.677 ' CG1' HD11 ' A' ' 27' ' ' LEU . 17.4 t -87.43 -56.38 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.428 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.98 -37.3 43.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.655 HG22 ' CD2' ' A' ' 45' ' ' LEU . 89.2 m -74.83 -55.93 5.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.74 -32.93 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.677 HD11 ' CG1' ' A' ' 23' ' ' VAL . 13.5 mt -70.1 -45.54 66.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -55.29 -50.47 69.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.87 -43.17 90.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.124 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 1.003 HD22 HD23 ' A' ' 12' ' ' LEU . 33.5 mt -63.05 -53.79 48.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.13 -33.34 69.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.78 -58.11 4.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.402 HG21 ' C ' ' A' ' 40' ' ' GLU . 72.5 p -57.61 -51.59 68.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.19 34.12 0.21 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.1 mtt85 43.42 44.27 4.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.868 0.365 . . . . 0.0 110.899 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -84.53 -62.44 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.458 HG22 ' CD ' ' A' ' 40' ' ' GLU . 13.7 t -164.37 162.32 22.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.568 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -45.84 -62.12 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 38' ' ' ALA . 40.8 mt-10 -35.1 -61.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.458 ' CD ' HG22 ' A' ' 37' ' ' THR . 0.6 OUTLIER -43.29 -47.81 6.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.674 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -55.28 -44.71 75.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.526 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 4.2 mm? -57.36 -40.17 77.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.12 -27.69 69.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.5 t90 -88.07 -29.29 20.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.655 ' CD2' HG22 ' A' ' 25' ' ' THR . 37.2 mt -74.95 -37.6 61.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.866 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.609 HD12 ' CD2' ' A' ' 30' ' ' LEU . 4.5 mm? . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.841 0.353 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.528 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.1 mm? -102.89 -27.32 12.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.976 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.523 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 3.1 mm-40 -42.59 -58.91 3.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.694 ' CG ' ' HB2' ' A' ' 38' ' ' ALA . 53.9 Cg_endo -69.73 -39.54 6.43 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.604 HD21 ' HB3' ' A' ' 41' ' ' ALA . 87.4 mt -72.73 -13.75 61.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 13' ' ' LEU . 70.4 mt -96.21 -46.95 6.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.71 -18.6 64.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 22.0 mmm -77.94 -24.84 48.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.08 -34.28 2.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -58.47 139.56 85.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.689 0.757 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.256 . . . . 0.0 112.338 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.634 ' CG1' HD11 ' A' ' 27' ' ' LEU . 17.4 t -89.1 -54.46 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -50.81 -33.63 24.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.6 ' CG2' HD22 ' A' ' 45' ' ' LEU . 49.8 m -78.92 -57.91 3.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.466 ' HB3' HD12 ' A' ' 13' ' ' LEU . . . -50.61 -30.9 14.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.634 HD11 ' CG1' ' A' ' 23' ' ' VAL . 15.9 mt -72.34 -42.45 65.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -56.75 -50.49 72.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.412 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -63.02 -44.37 96.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.609 ' CD2' HD12 ' A' ' 12' ' ' LEU . 47.8 mt -57.23 -59.19 5.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.96 -32.92 64.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.9 -63.26 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.7 p -56.01 -71.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 36' ' ' LYS . . . 158.07 35.96 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.406 ' N ' ' HD3' ' A' ' 35' ' ' ARG . 2.1 mpp_? 39.22 30.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -71.26 -59.59 2.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.478 HG22 ' CD ' ' A' ' 40' ' ' GLU . 6.2 t -159.93 179.87 8.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.694 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -68.82 -53.79 19.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -43.77 -58.83 2.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.478 ' CD ' HG22 ' A' ' 37' ' ' THR . 0.5 OUTLIER -47.03 -38.96 11.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.604 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -70.38 -36.19 73.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.471 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 3.7 mm? -62.44 -35.69 80.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.42 -27.51 66.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.472 ' C ' ' CE3' ' A' ' 44' ' ' TRP . 9.0 t90 -87.97 -29.61 20.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.6 HD22 ' CG2' ' A' ' 25' ' ' THR . 41.6 mt -75.5 -37.32 60.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.953 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.84 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.481 ' HB3' HD21 ' A' ' 30' ' ' LEU . 12.8 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.823 0.344 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.9 mm? -73.03 -31.67 64.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.521 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 3.4 mm-40 -42.69 -58.83 3.4 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.635 0.731 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.9 Cg_endo -69.79 -39.46 6.42 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.348 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.661 HD21 ' HB3' ' A' ' 41' ' ' ALA . 86.1 mt -72.68 -13.95 61.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 13' ' ' LEU . 70.3 mt -96.1 -46.79 6.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.46 -19.2 64.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.8 mmm -77.48 -26.75 51.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.2 -27.27 4.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -66.09 140.62 97.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.667 0.746 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -163.74 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.657 2.238 . . . . 0.0 112.332 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.646 ' CG1' HD11 ' A' ' 27' ' ' LEU . 18.9 t -88.95 -57.18 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.419 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.49 -37.11 25.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.666 HG22 ' CD2' ' A' ' 45' ' ' LEU . 86.1 m -75.3 -57.3 3.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.95 -32.97 22.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.646 HD11 ' CG1' ' A' ' 23' ' ' VAL . 13.7 mt -69.83 -44.87 69.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm -55.67 -50.37 70.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.506 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -61.84 -42.37 98.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.481 HD21 ' HB3' ' A' ' 12' ' ' LEU . 29.7 mt -59.61 -54.59 44.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.38 -33.84 73.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.28 -54.19 19.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 74.0 p -61.66 -47.67 84.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.64 40.2 0.36 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.5 mtt-85 39.75 35.88 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -76.41 -65.84 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.493 HG23 ' H ' ' A' ' 40' ' ' GLU . 11.8 t -157.8 167.16 30.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.157 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.77 -55.08 39.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -42.03 -50.88 4.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.493 ' H ' HG23 ' A' ' 37' ' ' THR . 3.0 mm-40 -50.6 -48.74 57.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.661 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -54.12 -40.4 67.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.64 -39.02 89.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.5 -23.76 66.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.506 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 51.7 t90 -91.7 -29.36 16.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.666 ' CD2' HG22 ' A' ' 25' ' ' THR . 21.0 mt -76.17 -37.51 57.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.867 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.887 HD23 HD22 ' A' ' 30' ' ' LEU . 10.6 mp . . . . . 0 C--O 1.233 0.184 0 CA-C-O 120.896 0.379 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' LEU . 2.1 mm? -85.68 -29.58 23.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 12.4 mt-10 -42.76 -58.74 3.53 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.632 0.73 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.609 ' HG2' ' HB2' ' A' ' 38' ' ' ALA . 53.9 Cg_endo -69.77 -39.3 6.64 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.231 . . . . 0.0 112.393 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.639 HD21 ' HB3' ' A' ' 41' ' ' ALA . 86.2 mt -72.85 -13.88 61.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LEU . 71.9 mt -96.2 -46.19 6.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.23 -21.19 66.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.0 mmm -74.71 -23.87 58.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.79 -27.7 4.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -66.15 139.27 96.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.625 0.726 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -163.71 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.242 . . . . 0.0 112.377 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.662 ' CG1' HD11 ' A' ' 27' ' ' LEU . 24.7 t -88.09 -58.19 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.084 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.91 -31.06 6.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.544 HG22 ' CD2' ' A' ' 45' ' ' LEU . 51.4 m -78.83 -60.33 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.403 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . . . -49.29 -34.51 15.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.117 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.662 HD11 ' CG1' ' A' ' 23' ' ' VAL . 15.0 mt -68.12 -41.87 81.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -59.55 -50.51 73.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.825 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -64.77 -36.96 86.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.086 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.887 HD22 HD23 ' A' ' 12' ' ' LEU . 33.0 mt -65.89 -57.95 6.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.68 -26.7 62.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.74 -52.01 9.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.075 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.7 p -62.97 -44.12 96.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.135 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.22 33.42 0.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 65.7 mtt85 38.4 39.88 0.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.8 mttp -82.2 -61.07 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.405 HG22 ' OE2' ' A' ' 40' ' ' GLU . 9.0 t -163.18 147.23 10.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.609 ' HB2' ' HG2' ' A' ' 15' ' ' PRO . . . -37.82 -57.48 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 38' ' ' ALA . 53.6 mt-10 -34.54 -62.84 0.33 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.405 ' OE2' HG22 ' A' ' 37' ' ' THR . 0.5 OUTLIER -42.37 -46.73 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.639 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -55.87 -45.0 78.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.049 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.439 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 4.1 mm? -56.82 -39.43 74.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.05 -20.87 65.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.825 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 36.1 t90 -95.4 -27.39 15.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.544 ' CD2' HG22 ' A' ' 25' ' ' THR . 9.5 mt -78.49 -33.67 47.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.835 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.606 HD12 ' NH2' ' A' ' 35' ' ' ARG . 15.6 mt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.852 0.358 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.0 mm? -77.92 -29.66 50.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.517 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 6.9 mm-40 -42.17 -58.77 3.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.647 0.737 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.9 Cg_endo -69.77 -39.45 6.47 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.808 HD21 ' HB3' ' A' ' 41' ' ' ALA . 91.4 mt -72.87 -13.52 61.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' LEU . 74.6 mt -96.4 -46.51 6.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.77 -19.82 65.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmt -76.25 -24.58 54.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.09 -26.25 5.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.516 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -66.85 140.37 96.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.671 0.748 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.638 ' CG1' HD11 ' A' ' 27' ' ' LEU . 24.1 t -86.34 -57.84 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.46 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -50.0 -34.69 21.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.1 m -75.57 -56.4 4.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.477 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . . . -52.31 -35.6 50.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.638 HD11 ' CG1' ' A' ' 23' ' ' VAL . 11.5 mt -67.06 -45.95 75.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -56.97 -50.37 72.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.459 ' HA ' ' CE3' ' A' ' 44' ' ' TRP . . . -61.1 -40.29 93.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.409 ' HG ' ' CD1' ' A' ' 16' ' ' LEU . 31.4 mt -62.96 -58.91 5.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.46 -30.82 61.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.7 -53.38 28.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.431 HG21 ' C ' ' A' ' 40' ' ' GLU . 43.7 p -69.99 -23.32 63.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.35 43.43 2.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.606 ' NH2' HD12 ' A' ' 12' ' ' LEU . 64.3 mtp85 38.55 45.37 0.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 110.906 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -79.73 -65.13 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.778 HG23 ' H ' ' A' ' 40' ' ' GLU . 6.1 t -152.33 158.96 43.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.64 -42.94 68.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 42' ' ' LEU . 9.6 tp10 -59.59 -52.65 64.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.778 ' H ' HG23 ' A' ' 37' ' ' THR . 2.2 mm-40 -38.65 -44.74 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.808 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -57.69 -41.06 80.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.3 mm? -62.62 -36.27 82.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.49 -25.97 64.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.094 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.459 ' CE3' ' HA ' ' A' ' 29' ' ' ALA . 70.0 t90 -87.32 -29.65 21.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.7 mt -77.56 -37.93 49.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.863 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.827 HD23 HD22 ' A' ' 30' ' ' LEU . 9.9 mp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.849 0.357 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.4 mm? -80.44 -25.56 38.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.528 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 12.6 mt-10 -43.61 -58.47 4.43 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.703 0.764 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.5 Cg_endo -69.79 -37.52 8.98 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.235 . . . . 0.0 112.327 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.672 HD21 ' HB3' ' A' ' 41' ' ' ALA . 94.0 mt -74.96 -13.75 60.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 13' ' ' LEU . 74.7 mt -96.78 -47.26 5.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.47 -24.26 67.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.421 ' CG ' ' O ' ' A' ' 15' ' ' PRO . 2.2 mmt -71.53 -26.2 62.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.63 -33.73 2.8 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -60.48 139.17 92.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.671 0.748 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -163.82 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.645 ' CG1' HD11 ' A' ' 27' ' ' LEU . 23.6 t -85.54 -57.11 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.417 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -51.22 -35.68 37.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.438 HG22 ' CD2' ' A' ' 45' ' ' LEU . 99.5 m -75.87 -54.36 7.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.34 -34.04 60.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.645 HD11 ' CG1' ' A' ' 23' ' ' VAL . 12.1 mt -68.73 -42.62 77.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -57.54 -50.29 73.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.94 -42.29 93.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.827 HD22 HD23 ' A' ' 12' ' ' LEU . 62.0 mt -62.76 -54.69 35.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.16 -33.76 73.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.63 -53.72 14.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.421 HG21 ' C ' ' A' ' 40' ' ' GLU . 55.7 p -60.0 -50.93 71.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.12 33.09 0.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.433 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.457 ' N ' ' HD3' ' A' ' 35' ' ' ARG . 1.3 mpp_? 41.7 38.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.366 . . . . 0.0 110.877 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -82.58 -69.51 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.419 HG23 ' H ' ' A' ' 40' ' ' GLU . 0.8 OUTLIER -141.06 157.76 44.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.15 -43.62 82.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.084 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 42' ' ' LEU . 24.5 tt0 -53.17 -56.79 13.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.421 ' C ' HG21 ' A' ' 33' ' ' THR . 5.0 mm-40 -38.14 -45.21 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.672 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -56.08 -42.72 77.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.1 mm? -60.65 -38.83 86.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.92 -25.31 67.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -90.28 -27.76 19.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.438 ' CD2' HG22 ' A' ' 25' ' ' THR . 70.2 mt -78.42 -36.14 46.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.86 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.449 HD12 ' CD2' ' A' ' 30' ' ' LEU . 4.1 mm? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.864 0.364 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.4 mm? -97.39 -26.69 14.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.514 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 7.2 mt-10 -42.28 -58.87 3.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.668 0.747 . . . . 0.0 110.9 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.5 Cg_endo -69.78 -39.52 6.36 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.63 2.22 . . . . 0.0 112.365 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.712 HD21 ' HB3' ' A' ' 41' ' ' ALA . 85.6 mt -72.82 -13.46 61.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . 72.3 mt -96.57 -46.73 6.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.4 -21.57 66.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmt -74.33 -25.39 59.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.14 -26.31 4.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.433 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -68.7 138.83 90.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.664 0.745 . . . . 0.0 110.91 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -163.7 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.648 2.232 . . . . 0.0 112.337 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.645 ' CG1' HD11 ' A' ' 27' ' ' LEU . 22.7 t -86.6 -58.14 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.45 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -48.4 -33.33 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.0 m -77.55 -58.81 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.45 -34.49 16.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.645 HD11 ' CG1' ' A' ' 23' ' ' VAL . 10.5 mt -67.83 -41.28 83.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -59.16 -50.2 74.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.538 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -66.95 -39.28 87.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.449 ' CD2' HD12 ' A' ' 12' ' ' LEU . 15.5 mt -55.89 -63.08 1.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.38 -35.89 70.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.417 ' HB1' ' CD1' ' A' ' 44' ' ' TRP . . . -58.01 -49.2 77.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.072 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.461 HG21 ' C ' ' A' ' 40' ' ' GLU . 72.2 p -76.57 -34.0 58.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 111.08 40.9 1.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.459 ' CD ' ' N ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER 36.17 44.06 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 110.907 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -82.54 -60.89 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -153.9 136.83 15.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 37' ' ' THR . . . -37.0 -45.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.084 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -52.39 -54.93 25.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.461 ' C ' HG21 ' A' ' 33' ' ' THR . 2.1 mm-40 -40.29 -44.75 1.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.712 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -56.81 -41.94 78.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.126 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.45 -38.14 86.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.09 -28.15 67.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.538 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 36.8 t90 -84.51 -29.78 25.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.474 HD23 ' HZ3' ' A' ' 44' ' ' TRP . 76.7 mt -77.01 -37.74 54.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.922 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.7 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.798 0.332 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.8 mm? -73.27 -34.42 65.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 4.2 mm-40 -42.12 -58.57 3.31 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.618 0.723 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.0 Cg_endo -69.73 -39.7 6.26 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.639 HD21 ' HB3' ' A' ' 41' ' ' ALA . 94.3 mt -72.77 -13.46 61.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LEU . 75.7 mt -96.43 -47.13 6.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.66 -18.71 64.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.2 mmm -77.27 -26.08 52.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.24 -25.9 4.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -68.85 138.34 90.36 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.63 0.729 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -163.81 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.728 2.285 . . . . 0.0 112.373 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.625 ' CG1' HD11 ' A' ' 27' ' ' LEU . 23.3 t -86.06 -57.69 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.484 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.86 -36.02 25.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.474 HG22 ' CD2' ' A' ' 45' ' ' LEU . 54.2 m -73.67 -57.28 4.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.39 -37.85 50.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.625 HD11 ' CG1' ' A' ' 23' ' ' VAL . 11.6 mt -64.16 -42.2 96.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.9 mtmm -60.63 -49.99 75.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.447 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -64.18 -37.92 89.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.421 HD11 HD12 ' A' ' 16' ' ' LEU . 30.1 mt -65.95 -60.4 2.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.5 -25.83 60.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.17 -39.5 33.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.428 HG21 ' O ' ' A' ' 40' ' ' GLU . 57.6 p -83.02 0.83 43.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 80.05 42.77 10.44 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 34' ' ' GLY . 1.3 mpp_? 34.8 48.7 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -80.15 -63.97 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.68 HG22 ' OE2' ' A' ' 40' ' ' GLU . 8.9 t -169.63 166.04 10.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.438 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -49.11 -59.39 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -42.14 -57.71 2.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.68 ' OE2' HG22 ' A' ' 37' ' ' THR . 0.3 OUTLIER -46.06 -43.3 14.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.639 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -61.47 -40.83 95.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.568 ' HA ' HD12 ' A' ' 45' ' ' LEU . 3.7 mm? -59.15 -39.22 81.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.21 -23.81 67.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.095 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.447 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 46.3 t90 -93.47 -26.71 17.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.568 HD12 ' HA ' ' A' ' 42' ' ' LEU . 9.6 mt -76.75 -34.53 58.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.881 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.856 HD13 HD22 ' A' ' 30' ' ' LEU . 13.6 mt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.801 0.334 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -92.48 -26.07 18.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.853 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.519 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 1.7 mm-40 -42.3 -58.76 3.25 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.9 Cg_endo -69.73 -39.58 6.39 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.662 2.241 . . . . 0.0 112.358 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.662 HD21 ' HB3' ' A' ' 41' ' ' ALA . 80.4 mt -72.78 -13.47 61.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 13' ' ' LEU . 72.5 mt -96.7 -47.27 5.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.56 -19.77 65.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.1 mmt -76.8 -25.84 53.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.95 -28.85 4.06 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -64.13 140.37 97.89 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.642 0.734 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -163.81 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.347 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.663 ' CG1' HD11 ' A' ' 27' ' ' LEU . 16.5 t -87.31 -56.82 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.431 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.53 -37.69 40.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.591 HG22 ' CD2' ' A' ' 45' ' ' LEU . 89.2 m -74.31 -55.43 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.04 -33.26 51.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.663 HD11 ' CG1' ' A' ' 23' ' ' VAL . 11.2 mt -69.66 -45.99 67.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm -53.44 -49.96 66.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.23 -40.63 96.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.856 HD22 HD13 ' A' ' 12' ' ' LEU . 22.6 mt -59.11 -57.55 12.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.91 -31.66 72.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.429 ' HB1' ' NE1' ' A' ' 44' ' ' TRP . . . -66.86 -48.9 67.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 73.2 p -69.92 -47.22 63.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.95 37.21 0.51 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.455 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 43.21 41.19 2.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.378 . . . . 0.0 110.927 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -78.4 -72.5 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.686 HG23 ' H ' ' A' ' 40' ' ' GLU . 4.3 t -148.5 158.17 43.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.171 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.92 -38.15 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 42' ' ' LEU . 2.3 tp10 -61.92 -53.8 50.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.686 ' H ' HG23 ' A' ' 37' ' ' THR . 4.7 mm-40 -40.59 -42.78 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.662 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -59.72 -39.68 85.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.5 mm? -63.14 -36.9 85.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.41 -24.87 63.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.458 ' O ' ' CE3' ' A' ' 44' ' ' TRP . 21.7 t90 -90.72 -26.71 19.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.591 ' CD2' HG22 ' A' ' 25' ' ' THR . 36.2 mt -78.77 -34.96 45.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.899 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.683 HD12 ' CZ ' ' A' ' 35' ' ' ARG . 10.4 mt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.861 0.362 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 17' ' ' LEU . 4.1 mm? -75.07 -32.56 61.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.525 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 1.7 mm-40 -42.65 -58.77 3.43 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.664 0.745 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.3 Cg_endo -69.76 -39.45 6.5 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.316 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.767 HD21 ' HB3' ' A' ' 41' ' ' ALA . 87.9 mt -72.8 -13.85 61.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 13' ' ' LEU . 72.2 mt -96.25 -47.34 6.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.92 -19.16 63.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.1 mmt -76.06 -25.36 55.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.09 -24.45 5.07 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -69.01 139.7 90.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.643 0.735 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -163.77 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.26 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.614 ' CG1' HD11 ' A' ' 27' ' ' LEU . 25.1 t -87.07 -59.58 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.45 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -46.5 -37.08 7.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.548 HG22 HD21 ' A' ' 45' ' ' LEU . 53.8 m -75.34 -58.33 3.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.0 -34.56 13.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.614 HD11 ' CG1' ' A' ' 23' ' ' VAL . 10.5 mt -67.88 -44.36 77.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -58.12 -50.39 73.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.427 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -62.24 -39.12 91.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 12' ' ' LEU . 19.4 mt -65.35 -62.8 1.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.69 -21.49 40.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.17 -53.28 7.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.414 HG21 ' O ' ' A' ' 40' ' ' GLU . 60.2 p -69.58 -12.04 61.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 91.65 41.8 4.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.683 ' CZ ' HD12 ' A' ' 12' ' ' LEU . 12.0 mmm180 35.1 54.89 0.76 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 110.903 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -89.89 -67.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.495 HG23 ' H ' ' A' ' 40' ' ' GLU . 7.1 t -155.83 141.04 17.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' THR . . . -34.0 -52.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.108 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -46.51 -57.42 4.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.866 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.495 ' H ' HG23 ' A' ' 37' ' ' THR . 3.3 mm-40 -41.14 -40.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.767 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -62.38 -37.28 85.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.065 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.2 mm? -65.61 -36.52 83.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.24 -23.6 62.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.427 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 82.1 t90 -90.42 -32.65 16.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.548 HD21 HG22 ' A' ' 25' ' ' THR . 37.7 mt -72.48 -40.7 66.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.83 179.896 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.6 mt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.543 ' CD1' ' HB3' ' A' ' 26' ' ' ALA . 3.4 mm? -74.65 -28.06 60.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.518 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 10.8 mt-10 -41.87 -58.57 3.16 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.607 0.718 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.5 Cg_endo -69.78 -39.86 5.98 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.319 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.731 HD21 ' HB3' ' A' ' 41' ' ' ALA . 91.2 mt -72.53 -13.4 61.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 13' ' ' LEU . 75.3 mt -96.31 -45.84 6.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.0 -23.71 67.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmt -72.54 -25.37 61.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.35 -25.77 5.07 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -68.62 138.76 91.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -163.8 0.12 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.611 ' CG1' HD11 ' A' ' 27' ' ' LEU . 24.9 t -86.78 -59.88 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -45.07 -34.25 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.7 m -77.45 -60.97 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.543 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . . . -47.2 -33.18 5.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.611 HD11 ' CG1' ' A' ' 23' ' ' VAL . 12.3 mt -69.11 -42.39 76.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm -58.53 -49.99 75.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.446 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -64.33 -39.39 93.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.69 -54.05 45.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.82 -34.61 76.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.111 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.91 -51.8 43.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 29' ' ' ALA . 78.8 p -65.07 -48.6 73.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 126.16 38.96 0.44 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 34' ' ' GLY . 25.9 mtt-85 36.02 42.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.349 . . . . 0.0 110.875 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -84.37 -63.0 1.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.769 HG23 ' H ' ' A' ' 40' ' ' GLU . 10.2 t -146.65 152.08 38.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.84 -39.42 65.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.069 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -57.73 -51.4 69.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.769 ' H ' HG23 ' A' ' 37' ' ' THR . 3.2 mm-40 -39.45 -46.99 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.731 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -54.57 -43.98 72.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.51 -39.72 84.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.53 -26.91 66.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.064 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.446 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 59.1 t90 -88.37 -26.89 21.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mt -79.37 -34.07 42.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.847 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.6 mt . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.872 0.368 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.529 ' CD1' ' HB3' ' A' ' 26' ' ' ALA . 2.4 mm? -80.45 -25.59 38.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.52 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 2.4 mm-40 -42.14 -58.69 3.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.651 0.738 . . . . 0.0 110.865 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.7 Cg_endo -69.76 -39.59 6.33 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.671 HD21 ' HB3' ' A' ' 41' ' ' ALA . 75.0 mt -72.83 -13.37 61.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 13' ' ' LEU . 74.7 mt -96.55 -46.6 6.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.43 -21.83 66.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmt -74.97 -25.23 58.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.77 -31.42 3.37 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.495 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -63.76 139.68 97.67 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.622 0.725 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -163.76 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.731 2.287 . . . . 0.0 112.327 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.62 ' CG1' HD11 ' A' ' 27' ' ' LEU . 16.9 t -85.95 -59.27 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.463 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -47.6 -38.57 14.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.7 m -72.81 -56.94 4.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.529 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . . . -51.25 -34.2 31.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.62 HD11 ' CG1' ' A' ' 23' ' ' VAL . 10.1 mt -68.45 -45.41 72.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -54.94 -50.0 69.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.53 -44.16 97.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.8 mt -59.56 -53.02 62.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.61 -37.7 82.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.71 -61.43 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.0 p -55.73 -52.89 62.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 130.58 43.96 0.18 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' GLY . 0.9 OUTLIER 36.7 38.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.352 . . . . 0.0 110.825 -179.849 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -77.25 -66.44 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.534 HG23 ' H ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -149.2 168.33 23.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.4 ' HB2' ' HG3' ' A' ' 15' ' ' PRO . . . -65.25 -34.68 78.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 42' ' ' LEU . 2.2 tp10 -63.49 -54.16 40.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.534 ' H ' HG23 ' A' ' 37' ' ' THR . 2.0 mm-40 -40.14 -42.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.671 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -59.57 -40.01 85.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.2 mm? -62.65 -38.06 88.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.6 -24.46 63.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.061 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -90.54 -26.4 19.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.5 mt -79.84 -34.2 39.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.882 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.692 HD23 HD22 ' A' ' 30' ' ' LEU . 10.8 mp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.837 0.351 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.5 mm? -72.68 -31.28 64.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.53 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 1.5 mm-40 -42.05 -58.47 3.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.719 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.9 Cg_endo -69.77 -39.56 6.34 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.655 HD21 ' HB3' ' A' ' 41' ' ' ALA . 97.4 mt -72.96 -13.27 61.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' LEU . 78.4 mt -97.35 -48.98 5.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.95 -18.35 63.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.068 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.417 ' CG ' ' O ' ' A' ' 15' ' ' PRO . 4.4 mmm -76.82 -24.47 52.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.11 -31.61 3.13 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -65.27 138.58 97.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.668 0.747 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -163.65 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.358 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.686 ' CG1' HD11 ' A' ' 27' ' ' LEU . 19.7 t -84.67 -55.32 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.181 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.425 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -53.45 -35.4 60.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.9 m -73.7 -54.05 8.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.97 -35.66 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.686 HD11 ' CG1' ' A' ' 23' ' ' VAL . 12.1 mt -67.92 -36.05 79.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -57.3 -56.93 15.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.451 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -61.98 -37.42 84.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.067 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.692 HD22 HD23 ' A' ' 12' ' ' LEU . 41.1 mt -59.87 -56.3 23.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.48 -34.85 78.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.03 -51.09 61.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.3 p -70.54 -59.11 3.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.14 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 138.93 43.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.525 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 34' ' ' GLY . 75.6 mtp85 34.77 45.09 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.352 . . . . 0.0 110.881 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -83.84 -52.05 6.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.655 HG22 ' CD ' ' A' ' 40' ' ' GLU . 2.4 t -173.76 150.59 1.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.529 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -42.15 -57.54 2.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.042 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -38.84 -60.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.655 ' CD ' HG22 ' A' ' 37' ' ' THR . 0.3 OUTLIER -42.97 -46.19 5.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.655 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -58.31 -45.71 87.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.449 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 3.6 mm? -56.19 -35.82 67.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.5 -30.28 68.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.489 ' CZ3' HD23 ' A' ' 45' ' ' LEU . 21.9 t90 -84.44 -24.8 29.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.489 HD23 ' CZ3' ' A' ' 44' ' ' TRP . 46.9 mt -83.34 -32.7 26.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.857 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.857 0.36 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.2 mm? -72.84 -31.85 65.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.529 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 6.0 mm-40 -42.35 -58.48 3.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.644 ' CG ' ' HB2' ' A' ' 38' ' ' ALA . 54.0 Cg_endo -69.73 -39.68 6.28 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.706 2.271 . . . . 0.0 112.363 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.769 HD21 ' HB3' ' A' ' 41' ' ' ALA . 97.0 mt -72.66 -13.72 61.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . 75.1 mt -96.04 -46.87 6.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.24 -19.94 65.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.6 mmm -75.16 -24.02 57.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.23 -24.66 5.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.545 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.67 138.28 90.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.639 0.733 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -163.73 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.718 2.279 . . . . 0.0 112.353 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.67 ' CG1' HD11 ' A' ' 27' ' ' LEU . 20.7 t -86.7 -61.09 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.58 -32.75 1.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 m -78.07 -61.46 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.56 -32.3 5.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.67 HD11 ' CG1' ' A' ' 23' ' ' VAL . 13.7 mt -71.58 -37.8 70.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HB3' ' CH2' ' A' ' 44' ' ' TRP . 24.6 mttt -56.03 -52.25 64.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.496 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -65.1 -45.92 83.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.076 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.9 mt -54.87 -58.17 8.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.38 -33.01 65.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.71 -72.32 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.5 p -44.37 -55.4 5.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.426 ' HA3' ' NZ ' ' A' ' 36' ' ' LYS . . . 135.85 30.55 0.32 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.4 mtt-85 49.37 26.78 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 110.889 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.426 ' NZ ' ' HA3' ' A' ' 34' ' ' GLY . 1.1 mptt -60.89 -57.75 11.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.425 HG22 ' OE2' ' A' ' 40' ' ' GLU . 11.1 t -173.8 164.21 4.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.644 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -49.01 -59.24 3.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.087 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -39.65 -59.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.425 ' OE2' HG22 ' A' ' 37' ' ' THR . 0.1 OUTLIER -44.23 -47.43 9.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.884 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.769 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -57.29 -44.46 84.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -56.23 -35.32 67.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.51 -32.22 72.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.496 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 69.2 t90 -83.45 -28.92 28.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.5 mt -76.24 -36.96 58.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.895 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -82.83 42.02 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.9 p -67.49 155.17 39.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.96 143.37 16.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.7 p 42.98 45.01 4.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.6 m -97.18 90.49 5.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.11 58.79 0.34 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -91.86 -41.15 10.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.9 m -70.03 144.45 92.86 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.639 0.733 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 111.97 2.95 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.665 2.243 . . . . 0.0 112.392 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.4 m -123.11 -70.76 0.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.649 ' HB3' HD21 ' A' ' 30' ' ' LEU . 3.6 mm? -79.47 -20.66 46.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 17' ' ' LEU . 4.6 mm? -73.46 -32.03 64.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.522 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 10.4 mt-10 -42.44 -58.69 3.39 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.642 0.734 . . . . 0.0 110.84 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.1 Cg_endo -69.73 -39.55 6.44 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.754 HD21 ' HB3' ' A' ' 41' ' ' ALA . 87.8 mt -72.76 -13.76 61.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 13' ' ' LEU . 72.7 mt -95.95 -45.5 6.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.64 -22.04 66.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.5 mmm -74.43 -24.98 59.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.61 -27.99 4.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -64.08 140.76 97.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.636 0.732 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -163.76 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.32 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.656 ' CG1' HD11 ' A' ' 27' ' ' LEU . 17.3 t -88.46 -57.52 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.452 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.41 -37.9 27.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.3 m -74.9 -56.99 4.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.482 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . . . -50.86 -33.01 22.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.656 HD11 ' CG1' ' A' ' 23' ' ' VAL . 12.1 mt -69.88 -42.91 72.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -57.84 -50.74 72.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.416 ' O ' HG23 ' A' ' 33' ' ' THR . . . -60.99 -39.04 88.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.649 HD21 ' HB3' ' A' ' 12' ' ' LEU . 22.9 mt -62.83 -58.08 8.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.82 -28.48 66.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.76 -48.46 31.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 29' ' ' ALA . 58.0 p -73.35 -26.47 61.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.44 34.64 4.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 41.36 44.35 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -80.96 -47.3 13.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.677 HG23 ' H ' ' A' ' 40' ' ' GLU . 8.1 t -171.35 155.09 4.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.59 -49.37 56.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -50.93 -49.6 59.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.677 ' H ' HG23 ' A' ' 37' ' ' THR . 5.6 mm-40 -47.4 -48.59 26.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.754 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -53.16 -43.17 66.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.04 -38.91 84.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.01 -28.92 69.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.683 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 39.8 t90 -85.05 -29.32 25.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.6 mt -77.92 -37.92 46.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -68.98 -23.11 64.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -94.5 -25.44 16.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.683 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 6.6 m-70 -92.92 -56.84 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.807 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 48' ' ' HIS . 15.8 p -35.7 -31.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 48' ' ' HIS . 46.7 m-20 -90.6 78.11 6.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -166.06 144.05 4.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 110.859 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -13.37 34.4 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.676 2.25 . . . . 0.0 112.337 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.8 p -92.6 -15.35 27.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.557 HD13 ' HB3' ' A' ' 48' ' ' HIS . 23.9 mt -116.27 85.39 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -75.12 113.34 12.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -148.08 159.13 40.69 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.581 0.705 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -12.37 32.73 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.631 2.221 . . . . 0.0 112.319 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 25.5 mm -64.78 86.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.9 p -64.86 125.03 23.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -88.88 -160.04 35.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 171.42 14.47 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.662 2.241 . . . . 0.0 112.371 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.8 m -49.51 -57.46 7.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.2 t -67.24 -55.88 12.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.0 m -137.11 106.39 6.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 0.0 110.835 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 t -105.22 100.0 9.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.29 46.25 63.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.513 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t 57.7 38.26 27.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.902 0.382 . . . . 0.0 110.883 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -56.27 131.17 47.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.868 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.38 68.15 0.1 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.5 p -68.2 157.83 34.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.912 0.387 . . . . 0.0 110.822 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.7 m -122.09 144.46 41.45 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.637 0.732 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 2.76 3.21 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.28 . . . . 0.0 112.324 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.5 m -53.0 -56.87 12.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.5 mt -69.0 -17.01 63.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.55 ' CD1' ' HB3' ' A' ' 26' ' ' ALA . 3.2 mm? -85.51 -26.42 26.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.522 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 2.9 mm-40 -42.26 -58.84 3.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.602 0.715 . . . . 0.0 110.846 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.0 Cg_endo -69.77 -39.61 6.28 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.617 HD21 ' HB3' ' A' ' 41' ' ' ALA . 91.3 mt -72.79 -13.38 61.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LEU . 73.0 mt -96.76 -48.09 5.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.73 -20.21 65.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.7 mmm -76.24 -25.31 54.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.89 -34.65 2.52 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.521 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -62.27 139.81 96.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.643 0.735 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -163.76 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.658 ' CG1' HD11 ' A' ' 27' ' ' LEU . 15.9 t -87.05 -58.03 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.443 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.43 -38.54 29.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.446 HG22 ' CD2' ' A' ' 45' ' ' LEU . 86.4 m -74.04 -55.88 5.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.55 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . . . -51.32 -34.42 33.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.658 HD11 ' CG1' ' A' ' 23' ' ' VAL . 9.3 mt -69.68 -38.51 77.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -58.42 -53.8 54.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.817 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -59.47 -41.38 89.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.6 mt -61.3 -55.28 33.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.46 -34.87 73.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.63 -58.69 3.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.9 p -56.33 -54.38 46.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 137.76 39.81 0.12 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.451 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 34' ' ' GLY . 1.1 mpp_? 37.13 41.57 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.859 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -81.82 -67.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.82 HG22 ' CD ' ' A' ' 40' ' ' GLU . 9.9 t -156.59 170.68 21.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.141 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.85 -57.83 11.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.075 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -42.07 -58.53 2.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.82 ' CD ' HG22 ' A' ' 37' ' ' THR . 0.5 OUTLIER -42.95 -39.42 2.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.617 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -68.33 -39.61 81.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -59.3 -36.01 74.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.34 -25.84 65.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.079 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.817 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 59.2 t90 -90.48 -25.29 20.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.446 ' CD2' HG22 ' A' ' 25' ' ' THR . 9.4 mt -80.94 -30.72 35.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -75.94 -13.68 60.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -106.75 -21.36 13.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.654 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 4.5 m-70 -96.9 -39.25 9.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.8 t -45.94 155.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 74.17 41.42 0.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.401 ' HB2' HD12 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -120.66 144.86 39.66 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.604 0.716 . . . . 0.0 110.883 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -10.56 28.87 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.268 . . . . 0.0 112.376 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.8 p -102.06 -13.52 17.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.401 HD12 ' HB2' ' A' ' 51' ' ' ASP . 13.2 mt -117.43 40.38 3.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -43.67 117.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -119.79 153.13 54.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.586 0.708 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -43.16 2.83 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.639 2.226 . . . . 0.0 112.343 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.729 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.2 mp -40.83 118.86 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 t 53.12 42.82 32.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.4 -166.55 0.57 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.414 ' HB2' ' C ' ' A' ' 64' ' ' GLY . 53.9 Cg_endo -69.8 140.36 42.34 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.682 2.255 . . . . 0.0 112.356 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.7 m -93.77 -45.95 7.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.8 p -95.12 -51.59 4.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.414 ' C ' ' HB2' ' A' ' 61' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -92.65 105.71 17.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.901 0.381 . . . . 0.0 110.875 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 p -79.44 118.75 21.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.62 -175.78 28.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 t -123.13 100.28 6.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 0.0 110.832 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.8 m -53.68 -48.85 69.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.44 61.92 4.13 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.3 t -59.78 119.07 6.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.874 0.369 . . . . 0.0 110.863 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.4 p -50.98 147.61 8.73 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.662 0.744 . . . . 0.0 110.907 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 102.69 1.06 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.315 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.8 m -109.53 -56.2 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.723 HD13 HD22 ' A' ' 30' ' ' LEU . 11.7 mt -78.42 -30.38 47.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 17' ' ' LEU . 4.2 mm? -72.63 -34.06 67.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.516 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 3.3 mm-40 -42.95 -58.82 3.56 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.614 0.721 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.4 Cg_endo -69.76 -39.49 6.44 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.646 2.231 . . . . 0.0 112.348 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.691 HD21 ' HB3' ' A' ' 41' ' ' ALA . 89.7 mt -72.62 -14.11 61.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 13' ' ' LEU . 69.0 mt -95.7 -46.04 6.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.74 -19.98 65.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.2 mmt -76.57 -24.89 53.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.9 -25.82 5.2 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.464 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -66.79 139.62 95.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.623 0.725 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -163.76 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.631 ' CG1' HD11 ' A' ' 27' ' ' LEU . 26.2 t -87.7 -56.86 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.418 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.34 -35.58 28.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.5 m -75.48 -56.88 4.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.76 -35.34 43.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.631 HD11 ' CG1' ' A' ' 23' ' ' VAL . 13.9 mt -67.19 -42.42 84.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -57.82 -50.12 74.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.551 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -62.92 -41.99 99.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.723 HD22 HD13 ' A' ' 12' ' ' LEU . 19.7 mt -57.73 -58.2 9.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.39 -36.74 78.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.3 -52.51 61.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.3 p -67.53 -51.49 50.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 130.91 35.8 0.38 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 34' ' ' GLY . 6.0 mtt-85 35.94 41.51 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.913 0.387 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -83.39 -63.69 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.803 HG23 ' H ' ' A' ' 40' ' ' GLU . 8.8 t -143.35 149.27 37.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.15 -42.98 51.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 42' ' ' LEU . 20.9 tt0 -56.43 -53.91 51.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.803 ' H ' HG23 ' A' ' 37' ' ' THR . 2.2 mm-40 -37.24 -48.43 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.691 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -54.06 -44.25 70.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.7 mm? -60.06 -35.67 75.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.23 -27.12 64.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.551 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 73.1 t90 -86.79 -29.02 22.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.7 mt -77.79 -37.34 49.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -71.8 -20.06 61.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.23 -26.21 15.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.502 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 4.8 m-70 -92.42 -51.44 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.1 p -39.8 -29.78 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -47.6 -55.09 10.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -57.87 144.01 75.62 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.58 0.705 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -26.13 28.12 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 64.2 p -55.49 -14.08 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 48' ' ' HIS . 34.1 mt -114.53 80.65 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -73.02 156.66 38.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -153.75 145.04 16.41 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.606 0.717 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -13.14 34.12 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.753 2.302 . . . . 0.0 112.332 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.7 mt -59.76 145.49 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 t -77.25 -54.79 6.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.02 83.33 1.73 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 2.69 3.33 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.646 2.231 . . . . 0.0 112.371 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 63' ' ' SER . 43.8 t -102.25 116.93 33.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 62' ' ' SER . 40.6 t -35.68 139.73 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.468 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 m -100.33 154.11 18.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.839 0.352 . . . . 0.0 110.878 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.2 m -96.94 -59.93 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.98 -122.73 0.66 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.524 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -107.35 108.08 19.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.828 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -100.0 151.58 21.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.98 178.96 3.29 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.6 m -118.5 162.64 18.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.361 . . . . 0.0 110.839 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 p -161.44 145.12 9.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.679 0.752 . . . . 0.0 110.825 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 0.13 6.07 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.345 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.0 m -50.76 -51.49 49.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.897 HD23 HD22 ' A' ' 30' ' ' LEU . 10.0 mp -70.82 -20.47 62.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.7 mm? -82.6 -27.81 31.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.528 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 6.0 mt-10 -42.09 -58.75 3.13 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.677 0.751 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.1 Cg_endo -69.79 -39.52 6.36 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.68 HD21 ' HB3' ' A' ' 41' ' ' ALA . 86.4 mt -72.94 -13.22 61.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . 74.9 mt -97.1 -48.26 5.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.93 -19.38 64.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.8 mmm -76.1 -25.05 55.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.13 -29.87 3.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -63.54 139.97 97.69 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.645 0.736 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -163.79 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.722 2.281 . . . . 0.0 112.311 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.651 ' CG1' HD11 ' A' ' 27' ' ' LEU . 22.9 t -87.62 -56.56 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.41 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.8 -36.31 36.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.688 HG22 ' CD2' ' A' ' 45' ' ' LEU . 89.2 m -76.05 -55.77 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.47 -33.48 44.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.651 HD11 ' CG1' ' A' ' 23' ' ' VAL . 13.3 mt -69.31 -45.48 69.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -55.42 -50.22 70.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.87 92.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.897 HD22 HD23 ' A' ' 12' ' ' LEU . 54.2 mt -62.36 -56.13 21.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.71 -33.54 75.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.054 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.2 -49.55 66.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.3 p -68.23 -53.59 23.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.149 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 136.45 37.6 0.17 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 39.27 37.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.878 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -79.64 -63.37 1.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.405 HG23 ' H ' ' A' ' 40' ' ' GLU . 7.9 t -156.72 154.3 29.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.33 -56.04 7.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -39.15 -60.05 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' H ' HG23 ' A' ' 37' ' ' THR . 2.0 mm-40 -40.9 -47.05 2.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.68 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -53.69 -44.69 69.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.055 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.41 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 3.9 mm? -58.97 -39.27 81.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.48 -25.63 68.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.58 ' CZ3' ' HB2' ' A' ' 48' ' ' HIS . 41.4 t90 -91.06 -31.08 16.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.688 ' CD2' HG22 ' A' ' 25' ' ' THR . 31.3 mt -72.3 -39.03 68.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -64.76 -22.58 67.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -100.14 -31.42 11.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.58 ' HB2' ' CZ3' ' A' ' 44' ' ' TRP . 40.7 m-70 -104.62 37.42 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.4 t -113.35 -40.76 3.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -82.82 44.6 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.16 144.28 31.88 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.592 0.71 . . . . 0.0 110.912 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -21.42 33.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.2 m -94.45 -13.09 26.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 77.4 mt -115.46 42.63 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -62.16 118.69 7.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -91.68 156.04 43.22 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.601 0.715 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -29.35 24.13 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.248 . . . . 0.0 112.337 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.688 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.3 mp -55.21 -41.32 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.3 p 41.79 25.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.551 ' H ' HG22 ' A' ' 58' ' ' ILE . . . 113.94 -94.23 0.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 114.32 3.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.7 m -79.9 116.22 19.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 m -59.72 122.51 14.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.832 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.528 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 p -165.78 174.67 9.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.372 . . . . 0.0 110.826 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -47.15 -59.61 3.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.67 -81.31 0.35 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.9 p -78.08 139.51 39.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.83 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -136.37 175.28 9.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.48 -51.45 26.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.9 m -113.57 136.69 52.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 110.888 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.419 ' O ' HD23 ' A' ' 13' ' ' LEU . 7.7 t -154.93 142.21 13.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.686 0.755 . . . . 0.0 110.874 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 2.36 3.59 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.73 2.287 . . . . 0.0 112.337 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.0 p -51.13 -74.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.823 HD23 HD22 ' A' ' 30' ' ' LEU . 10.1 mp -59.02 -13.1 5.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.54 HD22 ' N ' ' A' ' 13' ' ' LEU . 1.1 mm? -83.93 -28.82 27.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.529 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 14.5 mm-40 -41.78 -58.6 3.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.611 0.719 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.4 Cg_endo -69.77 -39.63 6.25 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.7 2.266 . . . . 0.0 112.294 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.601 HD21 ' HB3' ' A' ' 41' ' ' ALA . 78.6 mt -72.95 -13.01 61.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 13' ' ' LEU . 77.7 mt -97.38 -48.13 5.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.0 -18.58 63.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.0 mmm -77.09 -25.62 52.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.77 -31.36 3.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -64.39 139.94 97.84 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -163.81 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.709 2.273 . . . . 0.0 112.367 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.64 ' CG1' HD11 ' A' ' 27' ' ' LEU . 18.2 t -87.32 -56.58 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.408 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.83 -36.77 39.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.523 HG22 HD21 ' A' ' 45' ' ' LEU . 88.8 m -75.58 -55.69 5.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.64 -32.82 43.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.64 HD11 ' CG1' ' A' ' 23' ' ' VAL . 12.1 mt -70.05 -44.51 69.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -55.84 -50.45 70.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.477 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -61.15 -40.81 95.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.823 HD22 HD23 ' A' ' 12' ' ' LEU . 58.5 mt -60.92 -55.97 26.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.16 -34.8 72.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.103 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.73 -60.64 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.08 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.6 p -56.42 -50.33 71.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 133.1 41.38 0.18 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' GLY . 59.4 mtm180 35.81 44.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.854 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -86.74 -60.72 1.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.713 HG22 ' OE2' ' A' ' 40' ' ' GLU . 6.5 t -157.75 179.62 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.419 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -70.91 -50.68 32.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -46.62 -58.2 4.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.713 ' OE2' HG22 ' A' ' 37' ' ' THR . 0.5 OUTLIER -41.21 -43.56 2.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.601 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -62.54 -42.71 99.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.094 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -56.49 -36.04 68.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.39 -28.98 66.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.535 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 58.8 t90 -84.51 -25.83 28.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.523 HD21 HG22 ' A' ' 25' ' ' THR . 28.6 mt -83.3 -34.34 25.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -72.21 -19.85 61.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -98.18 -28.88 13.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.535 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 8.2 m-70 -86.34 -52.92 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 48' ' ' HIS . 19.1 p -34.84 -38.11 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -60.09 -51.43 69.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 48' ' ' HIS . 4.6 m-20 -39.7 147.31 0.34 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.581 0.705 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -30.18 22.52 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.678 2.252 . . . . 0.0 112.358 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.0 m -58.35 -12.88 4.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 55' ' ' ASP . 12.5 mt -121.7 81.38 1.8 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 54' ' ' LEU . 19.7 t70 -35.2 -52.22 0.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -164.9 144.05 5.64 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.585 0.707 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.553 HG22 ' H ' ' A' ' 60' ' ' GLY . 20.3 mm -73.27 125.64 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.4 m -111.97 32.89 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.553 ' H ' HG22 ' A' ' 58' ' ' ILE . . . -162.86 83.36 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.507 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 97.22 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.362 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.1 t -144.37 154.34 42.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.8 t -111.96 113.21 25.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -159.09 129.74 5.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.833 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 m -123.49 125.88 45.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.54 102.45 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 6' ' ' SER . 89.1 p -92.32 150.68 20.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 110.846 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 5' ' ' SER . 26.5 p -36.58 139.16 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.76 -168.06 38.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.452 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.8 m -102.48 143.52 32.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.601 ' O ' HD23 ' A' ' 13' ' ' LEU . 84.7 p -120.18 143.69 36.21 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.689 0.757 . . . . 0.0 110.849 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -9.31 25.8 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.342 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.3 m -56.52 -57.62 11.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt -68.32 -22.49 64.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.601 HD23 ' O ' ' A' ' 9' ' ' SER . 2.7 mm? -72.16 -31.59 66.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.523 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 9.3 mt-10 -42.63 -58.82 3.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.682 0.753 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.4 Cg_endo -69.78 -39.56 6.33 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.266 . . . . 0.0 112.326 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.498 HD21 ' HB3' ' A' ' 41' ' ' ALA . 80.9 mt -72.69 -13.74 61.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LEU . 70.7 mt -96.19 -46.28 6.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.43 -21.14 66.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.7 mmm -75.64 -27.45 58.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.14 -26.56 3.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.524 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -67.89 139.07 93.06 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.665 0.745 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -163.8 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.634 ' CG1' HD11 ' A' ' 27' ' ' LEU . 25.4 t -88.06 -58.74 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.447 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -48.21 -36.88 14.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.691 HG22 HD21 ' A' ' 45' ' ' LEU . 95.4 m -74.53 -58.66 3.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.01 -36.92 18.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.634 HD11 ' CG1' ' A' ' 23' ' ' VAL . 10.8 mt -65.87 -46.35 78.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -57.12 -50.01 74.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.748 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -64.12 -41.21 97.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.436 ' HG ' ' CD1' ' A' ' 16' ' ' LEU . 17.9 mt -59.82 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.42 -30.22 18.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.067 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.49 -43.98 75.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 35' ' ' ARG . 22.3 p -96.78 53.46 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 44.55 20.7 0.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' GLY . 6.0 ptt180 34.51 46.7 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 0.0 110.829 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -75.41 -59.4 2.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.64 HG22 ' OE2' ' A' ' 40' ' ' GLU . 14.6 t -147.26 159.18 43.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.2 -53.32 21.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -40.91 -60.55 1.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.64 ' OE2' HG22 ' A' ' 37' ' ' THR . 0.4 OUTLIER -43.0 -47.39 5.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.498 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -55.33 -46.22 76.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.44 -40.25 71.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.16 -23.67 67.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.748 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 57.7 t90 -91.52 -30.01 16.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.691 HD21 HG22 ' A' ' 25' ' ' THR . 27.5 mt -73.59 -37.71 65.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -68.89 -19.06 64.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -102.67 -27.22 12.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.591 ' HB3' HD13 ' A' ' 54' ' ' LEU . 40.2 m-70 -109.64 43.0 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.0 p -107.3 -39.5 5.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -49.38 -50.32 40.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.731 ' HB2' HD12 ' A' ' 54' ' ' LEU . 1.2 m-20 -40.64 144.06 0.63 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.632 0.729 . . . . 0.0 110.855 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -47.11 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.65 2.234 . . . . 0.0 112.393 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.7 m -61.74 -15.11 38.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.731 HD12 ' HB2' ' A' ' 51' ' ' ASP . 12.0 mt -113.5 40.81 2.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -90.56 164.27 14.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -131.27 148.58 70.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.628 0.727 . . . . 0.0 110.823 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -0.74 7.36 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.68 2.253 . . . . 0.0 112.312 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 39.8 mt -59.53 106.87 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.177 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.2 t -66.24 151.46 46.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.2 146.27 15.1 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.52 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 130.31 19.1 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.684 2.256 . . . . 0.0 112.371 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.8 t -133.41 115.97 15.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.1 t -174.41 141.88 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t -131.63 116.21 17.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.372 . . . . 0.0 110.822 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.2 m -77.1 115.48 16.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.22 39.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -61.4 125.09 22.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.36 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.7 p -132.21 116.48 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.77 -49.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.475 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.2 m -118.94 174.49 6.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.919 0.39 . . . . 0.0 110.869 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 t -75.08 142.44 75.87 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.671 0.748 . . . . 0.0 110.885 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 2.77 3.23 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.686 2.257 . . . . 0.0 112.379 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 t -57.61 -53.96 52.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.003 HD23 HD22 ' A' ' 30' ' ' LEU . 10.3 mp -69.27 -18.05 63.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 17' ' ' LEU . 2.5 mm? -83.86 -28.43 28.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.525 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 3.8 mm-40 -42.3 -58.79 3.22 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.696 0.76 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.568 ' CG ' ' HB2' ' A' ' 38' ' ' ALA . 53.8 Cg_endo -69.82 -39.35 6.49 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.674 HD21 ' HB3' ' A' ' 41' ' ' ALA . 82.1 mt -72.96 -13.46 61.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' LEU . 73.6 mt -96.72 -46.67 6.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.28 -23.66 67.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.2 mmm -72.26 -25.71 61.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.83 -33.01 2.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.15 140.13 94.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.701 0.763 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -163.74 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.262 . . . . 0.0 112.329 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.677 ' CG1' HD11 ' A' ' 27' ' ' LEU . 17.4 t -87.43 -56.38 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.428 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.98 -37.3 43.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.655 HG22 ' CD2' ' A' ' 45' ' ' LEU . 89.2 m -74.83 -55.93 5.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.74 -32.93 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.677 HD11 ' CG1' ' A' ' 23' ' ' VAL . 13.5 mt -70.1 -45.54 66.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -55.29 -50.47 69.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.87 -43.17 90.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.124 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 1.003 HD22 HD23 ' A' ' 12' ' ' LEU . 33.5 mt -63.05 -53.79 48.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.13 -33.34 69.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.78 -58.11 4.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.402 HG21 ' C ' ' A' ' 40' ' ' GLU . 72.5 p -57.61 -51.59 68.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.19 34.12 0.21 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.1 mtt85 43.42 44.27 4.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.868 0.365 . . . . 0.0 110.899 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -84.53 -62.44 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.458 HG22 ' CD ' ' A' ' 40' ' ' GLU . 13.7 t -164.37 162.32 22.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.568 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -45.84 -62.12 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 38' ' ' ALA . 40.8 mt-10 -35.1 -61.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.458 ' CD ' HG22 ' A' ' 37' ' ' THR . 0.6 OUTLIER -43.29 -47.81 6.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.674 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -55.28 -44.71 75.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.526 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 4.2 mm? -57.36 -40.17 77.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.12 -27.69 69.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.403 ' CZ3' ' HB2' ' A' ' 48' ' ' HIS . 46.5 t90 -88.07 -29.29 20.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.655 ' CD2' HG22 ' A' ' 25' ' ' THR . 37.2 mt -74.95 -37.6 61.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -65.08 -26.77 68.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -95.88 -33.29 12.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.419 ' O ' ' CD1' ' A' ' 54' ' ' LEU . 44.7 m-70 -103.4 43.62 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.3 p -104.99 -38.16 6.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -84.01 37.83 0.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.43 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 3.9 t70 -97.82 141.19 22.59 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.72 . . . . 0.0 110.838 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 51' ' ' ASP . 53.9 Cg_endo -69.79 -44.9 1.79 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -67.61 -15.37 63.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.419 ' CD1' ' O ' ' A' ' 48' ' ' HIS . 96.2 mt -97.87 44.69 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -63.13 121.53 13.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -149.46 151.19 32.94 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -0.16 6.5 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.738 2.292 . . . . 0.0 112.369 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 46.9 mm -55.02 135.52 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.7 m -43.11 162.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.73 171.25 38.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.522 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 2.85 3.2 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.64 2.227 . . . . 0.0 112.305 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.4 m -153.39 144.03 22.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.8 p -57.05 -47.43 80.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -88.24 127.33 35.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.883 0.373 . . . . 0.0 110.873 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t 62.14 44.17 8.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.03 76.48 0.22 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.454 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -74.56 175.03 8.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 t -99.6 99.91 10.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.89 144.85 5.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.478 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.2 t -43.83 148.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.5 m -76.94 147.33 77.14 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 110.824 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -0.32 6.78 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.633 2.222 . . . . 0.0 112.325 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 t -71.51 -48.86 46.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.609 HD12 ' CD2' ' A' ' 30' ' ' LEU . 4.5 mm? -69.6 -12.14 61.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.528 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.1 mm? -102.89 -27.32 12.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.976 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.523 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 3.1 mm-40 -42.59 -58.91 3.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.694 ' CG ' ' HB2' ' A' ' 38' ' ' ALA . 53.9 Cg_endo -69.73 -39.54 6.43 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.604 HD21 ' HB3' ' A' ' 41' ' ' ALA . 87.4 mt -72.73 -13.75 61.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 13' ' ' LEU . 70.4 mt -96.21 -46.95 6.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.71 -18.6 64.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 22.0 mmm -77.94 -24.84 48.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.08 -34.28 2.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -58.47 139.56 85.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.689 0.757 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.256 . . . . 0.0 112.338 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.634 ' CG1' HD11 ' A' ' 27' ' ' LEU . 17.4 t -89.1 -54.46 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -50.81 -33.63 24.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.6 ' CG2' HD22 ' A' ' 45' ' ' LEU . 49.8 m -78.92 -57.91 3.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.466 ' HB3' HD12 ' A' ' 13' ' ' LEU . . . -50.61 -30.9 14.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.634 HD11 ' CG1' ' A' ' 23' ' ' VAL . 15.9 mt -72.34 -42.45 65.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' HD2' ' CD2' ' A' ' 54' ' ' LEU . 19.1 mtmt -56.75 -50.49 72.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.412 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -63.02 -44.37 96.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.609 ' CD2' HD12 ' A' ' 12' ' ' LEU . 47.8 mt -57.23 -59.19 5.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.96 -32.92 64.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.9 -63.26 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.7 p -56.01 -71.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 36' ' ' LYS . . . 158.07 35.96 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.406 ' N ' ' HD3' ' A' ' 35' ' ' ARG . 2.1 mpp_? 39.22 30.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -71.26 -59.59 2.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.478 HG22 ' CD ' ' A' ' 40' ' ' GLU . 6.2 t -159.93 179.87 8.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.694 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -68.82 -53.79 19.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -43.77 -58.83 2.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.478 ' CD ' HG22 ' A' ' 37' ' ' THR . 0.5 OUTLIER -47.03 -38.96 11.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.604 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -70.38 -36.19 73.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.471 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 3.7 mm? -62.44 -35.69 80.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.42 -27.51 66.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.472 ' C ' ' CE3' ' A' ' 44' ' ' TRP . 9.0 t90 -87.97 -29.61 20.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.6 HD22 ' CG2' ' A' ' 25' ' ' THR . 41.6 mt -75.5 -37.32 60.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.953 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -68.08 -25.48 65.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -94.84 -33.26 12.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.443 ' HB2' ' CZ3' ' A' ' 44' ' ' TRP . 44.1 m-70 -103.83 43.08 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.808 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 t -114.03 -40.14 3.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -58.59 -43.34 89.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -39.73 144.15 0.52 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.63 0.729 . . . . 0.0 110.89 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -47.47 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.342 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.0 t -60.07 -13.77 13.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.443 ' CD2' ' HD2' ' A' ' 28' ' ' LYS . 13.0 mt -118.87 43.35 2.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -65.14 135.76 55.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -124.43 153.26 69.18 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.728 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -38.41 7.85 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 95.4 mt -38.4 123.99 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.191 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.7 m -88.13 -57.94 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 112.63 -94.43 0.73 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.494 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 110.27 2.51 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.7 p -169.68 167.71 9.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.3 p -127.04 148.15 50.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.533 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.3 p -147.69 152.36 37.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.6 p -110.98 171.04 7.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.03 159.1 0.28 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.51 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 p -145.49 131.16 18.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.7 m -74.21 151.08 40.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.49 -178.79 0.39 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.9 p -169.33 132.85 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.379 . . . . 0.0 110.874 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.2 m -100.95 154.68 37.01 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.662 0.744 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 99.73 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.396 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.3 m -127.05 -55.38 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.481 ' HB3' HD21 ' A' ' 30' ' ' LEU . 12.8 mt -78.35 -34.98 48.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.9 mm? -73.03 -31.67 64.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.521 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 3.4 mm-40 -42.69 -58.83 3.4 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.635 0.731 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.9 Cg_endo -69.79 -39.46 6.42 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.348 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.661 HD21 ' HB3' ' A' ' 41' ' ' ALA . 86.1 mt -72.68 -13.95 61.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 13' ' ' LEU . 70.3 mt -96.1 -46.79 6.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.46 -19.2 64.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.8 mmm -77.48 -26.75 51.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.2 -27.27 4.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -66.09 140.62 97.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.667 0.746 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -163.74 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.657 2.238 . . . . 0.0 112.332 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.646 ' CG1' HD11 ' A' ' 27' ' ' LEU . 18.9 t -88.95 -57.18 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.419 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.49 -37.11 25.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.666 HG22 ' CD2' ' A' ' 45' ' ' LEU . 86.1 m -75.3 -57.3 3.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.95 -32.97 22.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.646 HD11 ' CG1' ' A' ' 23' ' ' VAL . 13.7 mt -69.83 -44.87 69.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm -55.67 -50.37 70.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.506 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -61.84 -42.37 98.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.481 HD21 ' HB3' ' A' ' 12' ' ' LEU . 29.7 mt -59.61 -54.59 44.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.38 -33.84 73.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.28 -54.19 19.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 74.0 p -61.66 -47.67 84.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.64 40.2 0.36 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.5 mtt-85 39.75 35.88 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -76.41 -65.84 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.493 HG23 ' H ' ' A' ' 40' ' ' GLU . 11.8 t -157.8 167.16 30.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.157 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.77 -55.08 39.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -42.03 -50.88 4.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.493 ' H ' HG23 ' A' ' 37' ' ' THR . 3.0 mm-40 -50.6 -48.74 57.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.661 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -54.12 -40.4 67.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.64 -39.02 89.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.5 -23.76 66.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.506 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 51.7 t90 -91.7 -29.36 16.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.666 ' CD2' HG22 ' A' ' 25' ' ' THR . 21.0 mt -76.17 -37.51 57.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -63.16 -16.77 61.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -107.17 -24.68 11.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.418 ' ND1' ' CZ2' ' A' ' 44' ' ' TRP . 29.2 m-70 -106.86 36.83 2.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.3 p -107.31 175.3 5.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.8 t30 43.32 37.77 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 6.6 t70 -98.69 139.98 21.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.715 . . . . 0.0 110.835 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 51' ' ' ASP . 53.4 Cg_endo -69.83 -7.67 21.67 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.281 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.1 t -107.01 -14.47 14.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.9 mt -116.91 84.61 2.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -61.31 148.28 41.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -158.87 144.38 12.03 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.599 0.714 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -1.78 9.09 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 49.2 mt -77.61 104.07 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.1 t -106.84 118.52 36.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.05 157.51 25.2 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 163.73 37.15 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 t -109.9 156.9 19.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.3 t -97.4 161.62 13.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.514 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 m -115.34 175.44 5.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 p -116.92 -53.19 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.95 -115.55 0.33 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 t -83.75 95.92 8.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.881 0.372 . . . . 0.0 110.879 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 t -50.7 -49.58 57.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.91 -126.53 8.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.2 p -105.59 125.83 51.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.5 p -148.8 144.37 18.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.692 0.758 . . . . 0.0 110.833 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 0.42 5.64 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.641 2.227 . . . . 0.0 112.392 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.9 m -57.36 -51.76 68.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.887 HD23 HD22 ' A' ' 30' ' ' LEU . 10.6 mp -72.58 -14.71 61.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.978 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' LEU . 2.1 mm? -85.68 -29.58 23.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 12.4 mt-10 -42.76 -58.74 3.53 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.632 0.73 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.609 ' HG2' ' HB2' ' A' ' 38' ' ' ALA . 53.9 Cg_endo -69.77 -39.3 6.64 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.231 . . . . 0.0 112.393 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.639 HD21 ' HB3' ' A' ' 41' ' ' ALA . 86.2 mt -72.85 -13.88 61.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LEU . 71.9 mt -96.2 -46.19 6.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.23 -21.19 66.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.0 mmm -74.71 -23.87 58.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.79 -27.7 4.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -66.15 139.27 96.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.625 0.726 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -163.71 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.242 . . . . 0.0 112.377 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.662 ' CG1' HD11 ' A' ' 27' ' ' LEU . 24.7 t -88.09 -58.19 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.084 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.91 -31.06 6.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.544 HG22 ' CD2' ' A' ' 45' ' ' LEU . 51.4 m -78.83 -60.33 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.403 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . . . -49.29 -34.51 15.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.117 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.662 HD11 ' CG1' ' A' ' 23' ' ' VAL . 15.0 mt -68.12 -41.87 81.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -59.55 -50.51 73.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.825 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -64.77 -36.96 86.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.086 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.887 HD22 HD23 ' A' ' 12' ' ' LEU . 33.0 mt -65.89 -57.95 6.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.68 -26.7 62.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.74 -52.01 9.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.075 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.7 p -62.97 -44.12 96.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.135 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.22 33.42 0.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 65.7 mtt85 38.4 39.88 0.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.8 mttp -82.2 -61.07 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.405 HG22 ' OE2' ' A' ' 40' ' ' GLU . 9.0 t -163.18 147.23 10.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.609 ' HB2' ' HG2' ' A' ' 15' ' ' PRO . . . -37.82 -57.48 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 38' ' ' ALA . 53.6 mt-10 -34.54 -62.84 0.33 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' OE2' HG22 ' A' ' 37' ' ' THR . 0.5 OUTLIER -42.37 -46.73 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.639 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -55.87 -45.0 78.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.049 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.439 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 4.1 mm? -56.82 -39.43 74.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.05 -20.87 65.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.825 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 36.1 t90 -95.4 -27.39 15.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.544 ' CD2' HG22 ' A' ' 25' ' ' THR . 9.5 mt -78.49 -33.67 47.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -69.44 -18.42 63.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -105.2 -27.16 11.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.673 ' O ' HD13 ' A' ' 54' ' ' LEU . 46.1 m-70 -107.16 38.5 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.2 t -107.59 -43.91 4.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -87.33 89.03 7.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -159.8 157.03 25.49 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.59 0.71 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -26.31 27.7 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.264 . . . . 0.0 112.295 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.8 m -93.49 -14.79 26.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.673 HD13 ' O ' ' A' ' 48' ' ' HIS . 67.4 mt -122.1 79.2 1.56 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.48 145.6 27.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -150.55 151.51 30.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.58 0.705 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -32.94 17.65 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.329 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 23.7 mt -66.82 87.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.15 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.5 p -127.59 156.58 42.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -158.78 -160.34 10.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.12 39.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.1 t -59.0 136.07 57.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.7 m -137.85 124.99 21.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.536 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 1' ' ' GLY . 60.3 p 36.98 41.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 110.824 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.3 t -102.76 -47.42 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.97 -173.83 39.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -130.85 -46.29 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 m -143.85 150.16 38.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.02 -45.56 95.33 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.433 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.4 m -82.15 84.7 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.874 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t -124.14 80.23 58.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.657 0.742 . . . . 0.0 110.84 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 82.24 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.8 m -111.3 -53.33 2.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.606 HD12 ' NH2' ' A' ' 35' ' ' ARG . 15.6 mt -76.32 -26.75 56.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.0 mm? -77.92 -29.66 50.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.517 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 6.9 mm-40 -42.17 -58.77 3.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.647 0.737 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.9 Cg_endo -69.77 -39.45 6.47 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.808 HD21 ' HB3' ' A' ' 41' ' ' ALA . 91.4 mt -72.87 -13.52 61.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' LEU . 74.6 mt -96.4 -46.51 6.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.77 -19.82 65.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmt -76.25 -24.58 54.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.09 -26.25 5.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.516 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -66.85 140.37 96.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.671 0.748 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.638 ' CG1' HD11 ' A' ' 27' ' ' LEU . 24.1 t -86.34 -57.84 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.46 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -50.0 -34.69 21.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.1 m -75.57 -56.4 4.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.477 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . . . -52.31 -35.6 50.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.638 HD11 ' CG1' ' A' ' 23' ' ' VAL . 11.5 mt -67.06 -45.95 75.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -56.97 -50.37 72.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.459 ' HA ' ' CE3' ' A' ' 44' ' ' TRP . . . -61.1 -40.29 93.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.409 ' HG ' ' CD1' ' A' ' 16' ' ' LEU . 31.4 mt -62.96 -58.91 5.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.46 -30.82 61.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.7 -53.38 28.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.431 HG21 ' C ' ' A' ' 40' ' ' GLU . 43.7 p -69.99 -23.32 63.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.35 43.43 2.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.606 ' NH2' HD12 ' A' ' 12' ' ' LEU . 64.3 mtp85 38.55 45.37 0.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 110.906 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -79.73 -65.13 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.778 HG23 ' H ' ' A' ' 40' ' ' GLU . 6.1 t -152.33 158.96 43.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.64 -42.94 68.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 42' ' ' LEU . 9.6 tp10 -59.59 -52.65 64.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.778 ' H ' HG23 ' A' ' 37' ' ' THR . 2.2 mm-40 -38.65 -44.74 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.808 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -57.69 -41.06 80.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.3 mm? -62.62 -36.27 82.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.49 -25.97 64.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.094 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.689 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 70.0 t90 -87.32 -29.65 21.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.7 mt -77.56 -37.93 49.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -70.15 -10.06 57.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.07 -22.05 12.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.689 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 5.8 m-70 -95.2 -45.29 7.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 48' ' ' HIS . 1.2 t -34.39 -38.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -88.78 65.76 7.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.427 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 3.1 t70 -141.63 141.15 21.69 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.57 0.7 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 51' ' ' ASP . 54.0 Cg_endo -69.73 -7.02 19.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.367 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 64.8 m -94.05 -15.21 25.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 55' ' ' ASP . 27.5 mt -110.07 81.89 1.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 54' ' ' LEU . 28.8 t70 -34.4 -65.04 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -149.69 148.13 24.77 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.581 0.705 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -46.43 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.233 . . . . 0.0 112.348 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.3 mm -82.41 143.71 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.5 t -120.75 96.26 5.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 143.2 81.94 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.525 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 168.13 22.44 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.0 p -125.22 -47.38 1.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m -60.21 93.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.495 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m 64.77 42.28 4.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 0.0 110.867 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -55.48 110.15 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.821 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.73 -82.64 1.65 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.51 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.1 p -97.32 163.95 12.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.2 p -101.73 -51.27 3.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.815 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.06 137.21 47.21 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.3 m -102.69 -31.38 10.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 110.821 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.2 p -81.37 147.47 60.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.625 0.726 . . . . 0.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.435 ' HA ' HD23 ' A' ' 13' ' ' LEU . 53.0 Cg_endo -69.82 2.94 3.11 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.677 2.251 . . . . 0.0 112.295 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 t -43.3 -50.05 6.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.827 HD23 HD22 ' A' ' 30' ' ' LEU . 9.9 mp -74.46 -22.59 59.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.4 mm? -80.44 -25.56 38.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.528 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 12.6 mt-10 -43.61 -58.47 4.43 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.703 0.764 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.5 Cg_endo -69.79 -37.52 8.98 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.235 . . . . 0.0 112.327 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.672 HD21 ' HB3' ' A' ' 41' ' ' ALA . 94.0 mt -74.96 -13.75 60.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 13' ' ' LEU . 74.7 mt -96.78 -47.26 5.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.47 -24.26 67.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.421 ' CG ' ' O ' ' A' ' 15' ' ' PRO . 2.2 mmt -71.53 -26.2 62.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.63 -33.73 2.8 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -60.48 139.17 92.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.671 0.748 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -163.82 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.645 ' CG1' HD11 ' A' ' 27' ' ' LEU . 23.6 t -85.54 -57.11 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.417 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -51.22 -35.68 37.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.438 HG22 ' CD2' ' A' ' 45' ' ' LEU . 99.5 m -75.87 -54.36 7.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.34 -34.04 60.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.645 HD11 ' CG1' ' A' ' 23' ' ' VAL . 12.1 mt -68.73 -42.62 77.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -57.54 -50.29 73.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.94 -42.29 93.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.827 HD22 HD23 ' A' ' 12' ' ' LEU . 62.0 mt -62.76 -54.69 35.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.16 -33.76 73.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.63 -53.72 14.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.421 HG21 ' C ' ' A' ' 40' ' ' GLU . 55.7 p -60.0 -50.93 71.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.12 33.09 0.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.433 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.457 ' HD3' ' N ' ' A' ' 35' ' ' ARG . 1.3 mpp_? 41.7 38.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.366 . . . . 0.0 110.877 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -82.58 -69.51 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.419 HG23 ' H ' ' A' ' 40' ' ' GLU . 0.8 OUTLIER -141.06 157.76 44.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.15 -43.62 82.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.084 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 42' ' ' LEU . 24.5 tt0 -53.17 -56.79 13.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.421 ' C ' HG21 ' A' ' 33' ' ' THR . 5.0 mm-40 -38.14 -45.21 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.672 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -56.08 -42.72 77.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.1 mm? -60.65 -38.83 86.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.92 -25.31 67.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.787 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 35.6 t90 -90.28 -27.76 19.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.438 ' CD2' HG22 ' A' ' 25' ' ' THR . 70.2 mt -78.42 -36.14 46.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -71.78 -17.32 62.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -99.08 -29.23 12.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.787 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 12.6 m-70 -90.75 -48.22 7.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.8 t -41.31 -24.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' HIS . 5.4 m-20 -89.42 50.09 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.36 144.03 51.61 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 0.0 110.887 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -16.32 37.56 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.741 2.294 . . . . 0.0 112.34 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.3 m -99.55 -15.35 18.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.476 HD13 ' HB3' ' A' ' 48' ' ' HIS . 78.5 mt -107.52 45.83 0.98 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -43.37 126.39 4.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -109.46 144.85 30.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.584 0.707 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 59' ' ' SER . 54.1 Cg_endo -69.69 -42.23 3.66 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.67 2.247 . . . . 0.0 112.373 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.658 ' H ' HD12 ' A' ' 58' ' ' ILE . 4.7 mp -38.21 95.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 57' ' ' PRO . 5.5 t -51.2 103.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.87 -158.29 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -6.22 18.08 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.343 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 t 56.74 48.39 16.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 62.9 m -61.0 156.92 16.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.53 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -74.52 -53.8 8.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 110.831 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 p -51.97 175.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -176.82 -142.73 4.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 4' ' ' GLY . 80.5 p -35.3 -39.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.893 0.378 . . . . 0.0 110.873 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 p -42.94 122.99 2.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 8' ' ' SER . . . -84.14 -133.61 2.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 7' ' ' GLY . 58.0 m -37.07 140.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.882 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.625 ' O ' HD23 ' A' ' 13' ' ' LEU . 46.3 m -144.69 149.0 41.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.649 0.738 . . . . 0.0 110.833 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -22.1 32.31 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.295 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 m -52.88 -52.25 58.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.814 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.449 HD12 ' CD2' ' A' ' 30' ' ' LEU . 4.1 mm? -64.06 -14.16 52.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 9' ' ' SER . 3.4 mm? -97.39 -26.69 14.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.514 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 7.2 mt-10 -42.28 -58.87 3.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.668 0.747 . . . . 0.0 110.9 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.5 Cg_endo -69.78 -39.52 6.36 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.63 2.22 . . . . 0.0 112.365 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.712 HD21 ' HB3' ' A' ' 41' ' ' ALA . 85.6 mt -72.82 -13.46 61.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . 72.3 mt -96.57 -46.73 6.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.4 -21.57 66.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmt -74.33 -25.39 59.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.14 -26.31 4.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.433 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -68.7 138.83 90.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.664 0.745 . . . . 0.0 110.91 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -163.7 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.648 2.232 . . . . 0.0 112.337 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.645 ' CG1' HD11 ' A' ' 27' ' ' LEU . 22.7 t -86.6 -58.14 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.45 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -48.4 -33.33 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.0 m -77.55 -58.81 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.45 -34.49 16.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.645 HD11 ' CG1' ' A' ' 23' ' ' VAL . 10.5 mt -67.83 -41.28 83.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -59.16 -50.2 74.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.538 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -66.95 -39.28 87.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.449 ' CD2' HD12 ' A' ' 12' ' ' LEU . 15.5 mt -55.89 -63.08 1.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.38 -35.89 70.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.417 ' HB1' ' CD1' ' A' ' 44' ' ' TRP . . . -58.01 -49.2 77.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.072 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.461 HG21 ' C ' ' A' ' 40' ' ' GLU . 72.2 p -76.57 -34.0 58.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 111.08 40.9 1.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.459 ' N ' ' CD ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER 36.17 44.06 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 110.907 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -82.54 -60.89 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -153.9 136.83 15.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 37' ' ' THR . . . -37.0 -45.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.084 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -52.39 -54.93 25.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.461 ' C ' HG21 ' A' ' 33' ' ' THR . 2.1 mm-40 -40.29 -44.75 1.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.712 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -56.81 -41.94 78.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.126 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.45 -38.14 86.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.09 -28.15 67.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.679 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 36.8 t90 -84.51 -29.78 25.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.474 HD23 ' HZ3' ' A' ' 44' ' ' TRP . 76.7 mt -77.01 -37.74 54.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -66.42 -31.37 72.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -85.31 -33.41 22.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.698 ' HB3' HD13 ' A' ' 54' ' ' LEU . 10.0 m-70 -82.96 -59.83 2.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 48' ' ' HIS . 49.1 t -34.47 -40.15 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -37.83 -50.82 1.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.433 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 2.9 t70 -45.77 141.16 4.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.64 0.733 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 51' ' ' ASP . 54.2 Cg_endo -69.73 -11.02 30.01 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.656 2.237 . . . . 0.0 112.367 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.1 m -99.33 -15.39 18.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.698 HD13 ' HB3' ' A' ' 48' ' ' HIS . 18.7 mt -105.02 41.32 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.62 167.67 21.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.86 153.48 80.93 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.608 0.718 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -3.52 12.16 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.723 2.282 . . . . 0.0 112.351 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.7 mt -75.86 133.52 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.5 t -97.19 137.62 35.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 57.54 83.4 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -16.99 38.08 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.2 t -139.77 141.3 36.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.825 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.7 t -135.98 137.9 41.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.522 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -155.84 159.32 39.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 110.801 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m -80.81 167.9 19.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.8 -121.76 19.69 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.3 p -127.97 88.0 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.856 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 t -147.28 143.83 28.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.23 -123.36 7.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.458 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 81.3 p -145.63 173.36 12.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.2 p -164.1 144.46 6.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.646 0.736 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 2.54 3.46 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.263 . . . . 0.0 112.37 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 m -63.27 -56.08 19.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.829 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.7 mt -72.3 -32.37 66.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.8 mm? -73.27 -34.42 65.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 4.2 mm-40 -42.12 -58.57 3.31 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.618 0.723 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 54.0 Cg_endo -69.73 -39.7 6.26 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.639 HD21 ' HB3' ' A' ' 41' ' ' ALA . 94.3 mt -72.77 -13.46 61.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LEU . 75.7 mt -96.43 -47.13 6.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.66 -18.71 64.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.2 mmm -77.27 -26.08 52.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.24 -25.9 4.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -68.85 138.34 90.36 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.63 0.729 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -163.81 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.728 2.285 . . . . 0.0 112.373 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.625 ' CG1' HD11 ' A' ' 27' ' ' LEU . 23.3 t -86.06 -57.69 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.484 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.86 -36.02 25.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.474 HG22 ' CD2' ' A' ' 45' ' ' LEU . 54.2 m -73.67 -57.28 4.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.39 -37.85 50.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.625 HD11 ' CG1' ' A' ' 23' ' ' VAL . 11.6 mt -64.16 -42.2 96.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.9 mtmm -60.63 -49.99 75.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.447 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -64.18 -37.92 89.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.421 HD11 HD12 ' A' ' 16' ' ' LEU . 30.1 mt -65.95 -60.4 2.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.5 -25.83 60.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.17 -39.5 33.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.428 HG21 ' O ' ' A' ' 40' ' ' GLU . 57.6 p -83.02 0.83 43.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 80.05 42.77 10.44 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 34' ' ' GLY . 1.3 mpp_? 34.8 48.7 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -80.15 -63.97 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.68 HG22 ' OE2' ' A' ' 40' ' ' GLU . 8.9 t -169.63 166.04 10.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.438 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -49.11 -59.39 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -42.14 -57.71 2.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.68 ' OE2' HG22 ' A' ' 37' ' ' THR . 0.3 OUTLIER -46.06 -43.3 14.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.639 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -61.47 -40.83 95.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.568 ' HA ' HD12 ' A' ' 45' ' ' LEU . 3.7 mm? -59.15 -39.22 81.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.21 -23.81 67.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.095 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.447 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 46.3 t90 -93.47 -26.71 17.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.568 HD12 ' HA ' ' A' ' 42' ' ' LEU . 9.6 mt -76.75 -34.53 58.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -67.2 -25.06 65.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -96.85 -31.99 12.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.768 ' O ' HD13 ' A' ' 54' ' ' LEU . 37.7 m-70 -103.04 37.73 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.2 t -109.2 -37.57 5.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -81.67 50.68 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.529 ' HB2' HD12 ' A' ' 54' ' ' LEU . 65.9 m-20 -127.45 143.91 49.0 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.603 0.716 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -39.72 6.14 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.242 . . . . 0.0 112.337 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.6 m -71.28 -12.75 61.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.768 HD13 ' O ' ' A' ' 48' ' ' HIS . 44.5 mt -110.31 41.75 1.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -46.46 138.29 5.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -125.05 151.42 69.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.719 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -34.49 14.37 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.694 2.263 . . . . 0.0 112.322 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 25.6 mt -48.63 125.49 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 60' ' ' GLY . 5.4 m 61.37 37.9 16.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 59' ' ' SER . . . 33.93 -96.36 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.432 ' N ' ' O ' ' A' ' 59' ' ' SER . 53.6 Cg_endo -69.74 103.66 1.19 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.675 2.25 . . . . 0.0 112.324 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.7 m -99.84 33.75 2.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.6 p -81.05 162.82 23.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.519 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 m -107.06 168.74 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.851 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.3 m -125.85 118.24 25.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.3 178.23 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 m -65.82 -62.8 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.845 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 m -54.86 113.88 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.64 166.83 12.28 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.462 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.3 t -163.48 136.77 5.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.365 . . . . 0.0 110.848 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.7 p -116.65 144.21 32.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 0.0 110.883 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 2.59 3.38 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.72 2.28 . . . . 0.0 112.341 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.5 m -57.7 -57.66 11.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.856 HD13 HD22 ' A' ' 30' ' ' LEU . 13.6 mt -66.21 -13.22 59.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -92.48 -26.07 18.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.853 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.519 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 1.7 mm-40 -42.3 -58.76 3.25 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.9 Cg_endo -69.73 -39.58 6.39 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.662 2.241 . . . . 0.0 112.358 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.662 HD21 ' HB3' ' A' ' 41' ' ' ALA . 80.4 mt -72.78 -13.47 61.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 13' ' ' LEU . 72.5 mt -96.7 -47.27 5.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.56 -19.77 65.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.1 mmt -76.8 -25.84 53.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.73 ' HA3' HD11 ' A' ' 58' ' ' ILE . . . 128.95 -28.85 4.06 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -64.13 140.37 97.89 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.642 0.734 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -163.81 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.347 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.663 ' CG1' HD11 ' A' ' 27' ' ' LEU . 16.5 t -87.31 -56.82 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.431 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.53 -37.69 40.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.591 HG22 ' CD2' ' A' ' 45' ' ' LEU . 89.2 m -74.31 -55.43 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.04 -33.26 51.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.663 HD11 ' CG1' ' A' ' 23' ' ' VAL . 11.2 mt -69.66 -45.99 67.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm -53.44 -49.96 66.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.23 -40.63 96.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.856 HD22 HD13 ' A' ' 12' ' ' LEU . 22.6 mt -59.11 -57.55 12.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.91 -31.66 72.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.429 ' HB1' ' NE1' ' A' ' 44' ' ' TRP . . . -66.86 -48.9 67.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 73.2 p -69.92 -47.22 63.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.95 37.21 0.51 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.455 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 43.21 41.19 2.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.378 . . . . 0.0 110.927 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -78.4 -72.5 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.686 HG23 ' H ' ' A' ' 40' ' ' GLU . 4.3 t -148.5 158.17 43.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.171 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.92 -38.15 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 42' ' ' LEU . 2.3 tp10 -61.92 -53.8 50.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.686 ' H ' HG23 ' A' ' 37' ' ' THR . 4.7 mm-40 -40.59 -42.78 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.662 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -59.72 -39.68 85.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.5 mm? -63.14 -36.9 85.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.41 -24.87 63.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.792 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 21.7 t90 -90.72 -26.71 19.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.591 ' CD2' HG22 ' A' ' 25' ' ' THR . 36.2 mt -78.77 -34.96 45.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -74.54 -15.2 60.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.45 -27.46 13.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.792 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 16.9 m-70 -94.09 -47.73 6.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.416 ' C ' ' O ' ' A' ' 48' ' ' HIS . 2.6 t -36.17 -40.27 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.419 ' CG ' ' N ' ' A' ' 51' ' ' ASP . 4.5 p-10 -39.8 -48.86 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.433 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 4.7 t70 -58.74 141.16 85.22 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.566 0.698 . . . . 0.0 110.891 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 51' ' ' ASP . 53.2 Cg_endo -69.76 -32.27 18.9 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 73.5 m -58.49 -13.33 5.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.44 ' CD1' ' HB3' ' A' ' 48' ' ' HIS . 24.1 mt -116.54 82.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -80.57 164.8 22.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -139.38 148.31 56.14 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.717 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -10.75 29.3 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.694 2.263 . . . . 0.0 112.354 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.73 HD11 ' HA3' ' A' ' 20' ' ' GLY . 77.6 mt -81.18 148.85 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 m -108.49 -49.0 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.68 -158.68 37.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -34.2 14.93 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.714 2.276 . . . . 0.0 112.308 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.7 t -98.0 157.98 15.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.7 t -129.32 -55.89 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.48 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -133.69 152.32 51.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.908 0.385 . . . . 0.0 110.886 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -55.8 127.52 30.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.12 -101.3 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.497 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 t -150.31 124.59 9.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.387 . . . . 0.0 110.83 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.5 m -99.14 92.51 5.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.827 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.39 -45.43 1.34 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 82.5 p -78.17 124.85 28.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 110.87 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.2 t -145.73 142.84 18.44 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.66 0.743 . . . . 0.0 110.831 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 96.23 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.715 2.277 . . . . 0.0 112.34 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 t -123.79 -65.33 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.683 HD12 ' CZ ' ' A' ' 35' ' ' ARG . 10.4 mt -74.75 -28.51 60.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.945 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 17' ' ' LEU . 4.1 mm? -75.07 -32.56 61.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.525 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 1.7 mm-40 -42.65 -58.77 3.43 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.664 0.745 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.3 Cg_endo -69.76 -39.45 6.5 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.316 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.767 HD21 ' HB3' ' A' ' 41' ' ' ALA . 87.9 mt -72.8 -13.85 61.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 13' ' ' LEU . 72.2 mt -96.25 -47.34 6.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.92 -19.16 63.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.1 mmt -76.06 -25.36 55.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.09 -24.45 5.07 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -69.01 139.7 90.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.643 0.735 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -163.77 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.26 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.614 ' CG1' HD11 ' A' ' 27' ' ' LEU . 25.1 t -87.07 -59.58 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.45 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -46.5 -37.08 7.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.548 HG22 HD21 ' A' ' 45' ' ' LEU . 53.8 m -75.34 -58.33 3.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.0 -34.56 13.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.614 HD11 ' CG1' ' A' ' 23' ' ' VAL . 10.5 mt -67.88 -44.36 77.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -58.12 -50.39 73.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.427 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -62.24 -39.12 91.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 12' ' ' LEU . 19.4 mt -65.35 -62.8 1.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.69 -21.49 40.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.17 -53.28 7.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.414 HG21 ' O ' ' A' ' 40' ' ' GLU . 60.2 p -69.58 -12.04 61.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 91.65 41.8 4.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.683 ' CZ ' HD12 ' A' ' 12' ' ' LEU . 12.0 mmm180 35.1 54.89 0.76 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 110.903 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -89.89 -67.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.495 HG23 ' H ' ' A' ' 40' ' ' GLU . 7.1 t -155.83 141.04 17.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' THR . . . -34.0 -52.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.108 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -46.51 -57.42 4.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.866 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.495 ' H ' HG23 ' A' ' 37' ' ' THR . 3.3 mm-40 -41.14 -40.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.767 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -62.38 -37.28 85.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.065 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.2 mm? -65.61 -36.52 83.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.24 -23.6 62.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.427 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 82.1 t90 -90.42 -32.65 16.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.548 HD21 HG22 ' A' ' 25' ' ' THR . 37.7 mt -72.48 -40.7 66.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -66.96 -11.89 57.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.83 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.7 -29.37 7.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.42 ' O ' HD13 ' A' ' 54' ' ' LEU . 33.2 m-70 -110.83 42.59 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.831 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.0 p -100.75 -41.01 7.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -103.06 91.05 3.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -144.0 143.92 24.56 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.596 0.712 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -5.18 15.57 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.1 t -110.81 -11.46 14.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 48' ' ' HIS . 78.4 mt -109.36 -44.93 3.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 48.96 38.06 11.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.43 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 4.6 t70 -40.48 141.16 0.91 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.639 0.733 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.8 Cg_endo -69.75 -32.12 19.24 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.352 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.8 mm -57.65 -43.45 83.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.1 t -39.39 -54.82 1.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.48 83.42 1.73 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 168.57 21.26 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.346 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.5 m -87.39 -49.21 7.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.9 p -89.05 -53.39 4.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.455 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.9 t -66.35 124.18 22.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.888 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.9 t -125.53 116.96 22.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.98 -159.93 32.68 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 m -85.58 42.96 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.897 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.0 p -85.37 130.69 34.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.819 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.59 -139.11 9.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.435 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.0 p -146.02 142.42 28.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.901 0.381 . . . . 0.0 110.882 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -90.64 146.46 34.23 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.641 0.734 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 13' ' ' LEU . 53.8 Cg_endo -69.77 0.45 5.64 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.649 2.232 . . . . 0.0 112.375 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.5 m -40.63 -54.48 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.6 mt -72.92 -23.86 60.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.543 ' CD1' ' HB3' ' A' ' 26' ' ' ALA . 3.4 mm? -74.65 -28.06 60.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.518 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 10.8 mt-10 -41.87 -58.57 3.16 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.607 0.718 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.5 Cg_endo -69.78 -39.86 5.98 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.319 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.731 HD21 ' HB3' ' A' ' 41' ' ' ALA . 91.2 mt -72.53 -13.4 61.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 13' ' ' LEU . 75.3 mt -96.31 -45.84 6.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.0 -23.71 67.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmt -72.54 -25.37 61.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.35 -25.77 5.07 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -68.62 138.76 91.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.445 ' HD3' ' CG ' ' A' ' 57' ' ' PRO . 53.3 Cg_endo -69.83 -163.8 0.12 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.611 ' CG1' HD11 ' A' ' 27' ' ' LEU . 24.9 t -86.78 -59.88 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -45.07 -34.25 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.7 m -77.45 -60.97 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.543 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . . . -47.2 -33.18 5.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.611 HD11 ' CG1' ' A' ' 23' ' ' VAL . 12.3 mt -69.11 -42.39 76.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm -58.53 -49.99 75.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.446 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -64.33 -39.39 93.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.69 -54.05 45.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.82 -34.61 76.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.111 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.91 -51.8 43.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 29' ' ' ALA . 78.8 p -65.07 -48.6 73.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 126.16 38.96 0.44 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 34' ' ' GLY . 25.9 mtt-85 36.02 42.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.349 . . . . 0.0 110.875 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -84.37 -63.0 1.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.769 HG23 ' H ' ' A' ' 40' ' ' GLU . 10.2 t -146.65 152.08 38.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.84 -39.42 65.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.069 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -57.73 -51.4 69.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.769 ' H ' HG23 ' A' ' 37' ' ' THR . 3.2 mm-40 -39.45 -46.99 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.731 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -54.57 -43.98 72.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.51 -39.72 84.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.53 -26.91 66.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.064 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.741 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 59.1 t90 -88.37 -26.89 21.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' A' ' 49' ' ' CYS . 10.9 mt -79.37 -34.07 42.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -68.9 -21.08 64.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -98.13 -32.63 11.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.741 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 10.8 m-70 -86.06 -50.34 7.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' HIS . 11.7 t -34.39 -38.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -81.38 70.96 8.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.72 ' HB2' HD12 ' A' ' 54' ' ' LEU . 3.3 m-20 -146.77 154.28 47.48 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.565 0.697 . . . . 0.0 110.884 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -29.99 23.03 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.335 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.7 m -110.01 76.23 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.72 HD12 ' HB2' ' A' ' 51' ' ' ASP . 12.0 mt -159.2 105.99 1.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -91.73 118.73 30.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.1 p30 -150.53 154.0 34.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.565 0.698 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.445 ' CG ' ' HD3' ' A' ' 22' ' ' PRO . 53.7 Cg_endo -69.77 -11.17 30.27 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.362 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 49.9 mm -50.54 97.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 m -138.54 119.47 14.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.06 83.42 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.454 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -176.16 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.0 p -93.13 106.95 18.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 62.3 p -157.91 138.46 12.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.537 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 m -142.26 161.75 37.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.367 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 p -172.36 172.64 4.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.43 -176.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -51.1 170.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -63.83 143.69 57.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.47 -147.37 14.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.3 p -148.45 112.23 5.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.36 . . . . 0.0 110.836 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -101.07 144.17 28.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.669 0.747 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 1.95 3.97 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.264 . . . . 0.0 112.335 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -52.97 -50.64 63.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.825 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.6 mt -72.85 -24.68 60.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.529 ' CD1' ' HB3' ' A' ' 26' ' ' ALA . 2.4 mm? -80.45 -25.59 38.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.52 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 2.4 mm-40 -42.14 -58.69 3.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.651 0.738 . . . . 0.0 110.865 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.7 Cg_endo -69.76 -39.59 6.33 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.671 HD21 ' HB3' ' A' ' 41' ' ' ALA . 75.0 mt -72.83 -13.37 61.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 13' ' ' LEU . 74.7 mt -96.55 -46.6 6.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.43 -21.83 66.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmt -74.97 -25.23 58.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.77 -31.42 3.37 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.495 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -63.76 139.68 97.67 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.622 0.725 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -163.76 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.731 2.287 . . . . 0.0 112.327 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.62 ' CG1' HD11 ' A' ' 27' ' ' LEU . 16.9 t -85.95 -59.27 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.463 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -47.6 -38.57 14.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.7 m -72.81 -56.94 4.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.529 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . . . -51.25 -34.2 31.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.62 HD11 ' CG1' ' A' ' 23' ' ' VAL . 10.1 mt -68.45 -45.41 72.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -54.94 -50.0 69.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.53 -44.16 97.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.8 mt -59.56 -53.02 62.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.61 -37.7 82.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.71 -61.43 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.0 p -55.73 -52.89 62.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 130.58 43.96 0.18 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' GLY . 0.9 OUTLIER 36.7 38.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.352 . . . . 0.0 110.825 -179.849 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -77.25 -66.44 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.534 HG23 ' H ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -149.2 168.33 23.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.4 ' HB2' ' HG3' ' A' ' 15' ' ' PRO . . . -65.25 -34.68 78.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 42' ' ' LEU . 2.2 tp10 -63.49 -54.16 40.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.534 ' H ' HG23 ' A' ' 37' ' ' THR . 2.0 mm-40 -40.14 -42.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.671 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -59.57 -40.01 85.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' GLU . 3.2 mm? -62.65 -38.06 88.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.6 -24.46 63.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.061 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.641 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 30.1 t90 -90.54 -26.4 19.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.5 mt -79.84 -34.2 39.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -74.55 -12.9 60.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -105.88 -21.14 13.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.641 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 16.3 m-70 -99.13 -46.63 5.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.1 t -39.7 -52.43 2.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -43.73 -40.21 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.422 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 4.5 t70 -46.38 141.15 5.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 110.843 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 51' ' ' ASP . 53.8 Cg_endo -69.79 -17.39 37.47 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.704 2.269 . . . . 0.0 112.347 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -81.99 -12.82 58.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 48' ' ' HIS . 28.8 mt -122.1 87.09 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -91.71 127.85 37.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -100.94 143.93 27.55 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.632 0.73 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -27.7 25.92 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.692 2.262 . . . . 0.0 112.307 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 75.2 mt -43.53 143.84 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.7 m -113.3 117.88 33.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.38 -67.81 0.26 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -30.47 22.5 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.716 2.277 . . . . 0.0 112.331 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.7 t -92.57 152.83 19.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 t -67.64 113.93 5.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.824 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.6 p -101.49 89.15 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.814 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 m -97.26 153.45 18.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.76 179.11 1.51 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.2 p -149.29 105.36 3.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.89 0.376 . . . . 0.0 110.815 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 m -116.67 160.44 20.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.02 -138.74 1.64 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.0 m -93.78 90.83 6.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.904 0.383 . . . . 0.0 110.839 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p -130.92 144.75 54.8 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.662 0.744 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 104.89 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -129.85 -55.83 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.692 HD23 HD22 ' A' ' 30' ' ' LEU . 10.8 mp -79.17 -31.09 43.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.5 mm? -72.68 -31.28 64.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.53 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 1.5 mm-40 -42.05 -58.47 3.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.719 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 53.9 Cg_endo -69.77 -39.56 6.34 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.655 HD21 ' HB3' ' A' ' 41' ' ' ALA . 97.4 mt -72.96 -13.27 61.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' LEU . 78.4 mt -97.35 -48.98 5.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.95 -18.35 63.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.068 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.417 ' CG ' ' O ' ' A' ' 15' ' ' PRO . 4.4 mmm -76.82 -24.47 52.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.11 -31.61 3.13 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -65.27 138.58 97.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.668 0.747 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -163.65 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.358 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.686 ' CG1' HD11 ' A' ' 27' ' ' LEU . 19.7 t -84.67 -55.32 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.181 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.425 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -53.45 -35.4 60.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.9 m -73.7 -54.05 8.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.97 -35.66 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.686 HD11 ' CG1' ' A' ' 23' ' ' VAL . 12.1 mt -67.92 -36.05 79.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -57.3 -56.93 15.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.451 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -61.98 -37.42 84.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.067 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.692 HD22 HD23 ' A' ' 12' ' ' LEU . 41.1 mt -59.87 -56.3 23.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.48 -34.85 78.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.03 -51.09 61.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.3 p -70.54 -59.11 3.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.14 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 35' ' ' ARG . . . 138.93 43.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.525 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 34' ' ' GLY . 75.6 mtp85 34.77 45.09 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.352 . . . . 0.0 110.881 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -83.84 -52.05 6.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.655 HG22 ' CD ' ' A' ' 40' ' ' GLU . 2.4 t -173.76 150.59 1.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.529 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -42.15 -57.54 2.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.042 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -38.84 -60.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.655 ' CD ' HG22 ' A' ' 37' ' ' THR . 0.3 OUTLIER -42.97 -46.19 5.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.655 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -58.31 -45.71 87.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.449 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 3.6 mm? -56.19 -35.82 67.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.5 -30.28 68.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.665 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 21.9 t90 -84.44 -24.8 29.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.489 HD23 ' CZ3' ' A' ' 44' ' ' TRP . 46.9 mt -83.34 -32.7 26.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -72.57 -21.47 61.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -97.8 -30.15 12.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.665 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 9.0 m-70 -85.58 -49.19 8.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.6 t -38.21 -38.22 0.33 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -74.23 73.41 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -169.13 145.18 2.78 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.58 0.705 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -35.61 12.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.304 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.3 m -63.25 -14.63 51.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.3 mt -113.3 78.52 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -63.32 148.04 49.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 10.3 t70 -167.43 139.73 2.68 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.613 0.72 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.9 Cg_endo -69.78 -46.21 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.382 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.3 mt -45.85 -56.35 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.7 m -38.41 106.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -95.2 -94.18 1.71 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.465 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 92.0 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.685 2.257 . . . . 0.0 112.311 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.6 p -108.36 157.75 18.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 97.5 p -47.12 112.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.468 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 m -41.03 -51.7 3.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.869 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -42.42 -52.71 4.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.42 147.7 6.54 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.3 m -112.65 176.26 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.827 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 t -122.37 149.93 43.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.64 168.03 39.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.531 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 76.3 p -154.13 124.27 6.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.878 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -54.59 158.59 4.09 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 110.873 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 97.38 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.646 2.231 . . . . 0.0 112.335 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 t -124.03 -61.25 1.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mt -72.06 -34.56 68.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.2 mm? -72.84 -31.85 65.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.529 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 6.0 mm-40 -42.35 -58.48 3.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.644 ' CG ' ' HB2' ' A' ' 38' ' ' ALA . 54.0 Cg_endo -69.73 -39.68 6.28 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.706 2.271 . . . . 0.0 112.363 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.769 HD21 ' HB3' ' A' ' 41' ' ' ALA . 97.0 mt -72.66 -13.72 61.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . 75.1 mt -96.04 -46.87 6.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.24 -19.94 65.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.6 mmm -75.16 -24.02 57.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.23 -24.66 5.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.545 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.67 138.28 90.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.639 0.733 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -163.73 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.718 2.279 . . . . 0.0 112.353 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.67 ' CG1' HD11 ' A' ' 27' ' ' LEU . 20.7 t -86.7 -61.09 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.58 -32.75 1.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 m -78.07 -61.46 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.56 -32.3 5.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.67 HD11 ' CG1' ' A' ' 23' ' ' VAL . 13.7 mt -71.58 -37.8 70.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HB3' ' CH2' ' A' ' 44' ' ' TRP . 24.6 mttt -56.03 -52.25 64.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.496 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -65.1 -45.92 83.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.076 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.9 mt -54.87 -58.17 8.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.38 -33.01 65.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.71 -72.32 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.5 p -44.37 -55.4 5.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.426 ' HA3' ' NZ ' ' A' ' 36' ' ' LYS . . . 135.85 30.55 0.32 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.4 mtt-85 49.37 26.78 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 110.889 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.426 ' NZ ' ' HA3' ' A' ' 34' ' ' GLY . 1.1 mptt -60.89 -57.75 11.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.425 HG22 ' OE2' ' A' ' 40' ' ' GLU . 11.1 t -173.8 164.21 4.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.644 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -49.01 -59.24 3.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.087 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -39.65 -59.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.425 ' OE2' HG22 ' A' ' 37' ' ' THR . 0.1 OUTLIER -44.23 -47.43 9.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.884 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.769 ' HB3' HD21 ' A' ' 16' ' ' LEU . . . -57.29 -44.46 84.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -56.23 -35.32 67.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.51 -32.22 72.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.747 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 69.2 t90 -83.45 -28.92 28.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.5 mt -76.24 -36.96 58.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -69.39 -22.06 63.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -95.4 -27.03 15.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.747 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 6.5 m-70 -92.32 -58.02 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.791 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 48' ' ' HIS . 13.7 p -35.07 -35.82 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 48' ' ' HIS . 15.2 t-20 -46.65 -51.25 16.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.01 144.0 21.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.624 0.726 . . . . 0.0 110.864 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -17.67 37.33 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.662 2.241 . . . . 0.0 112.349 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -67.76 -15.38 63.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 48' ' ' HIS . 51.9 mt -110.77 82.53 1.61 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -82.99 127.78 33.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -136.19 146.19 55.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -2.96 11.02 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.4 mt -55.64 110.26 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.3 m -72.36 -58.92 3.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -134.39 146.94 18.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 117.0 4.82 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.5 m -135.77 133.02 37.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.3 t -134.28 149.68 50.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 179.961 . . . . . . . . 0 0 . 1 stop_ save_