data_2e6i_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 2e6i _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' ' ' VAL . . . . . 0.475 ' CG1' ' HD2' ' A' ' 13' ' ' PRO . 4.8 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.605 0.717 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 12' ' ' VAL . 53.5 Cg_endo -69.74 98.71 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.722 2.282 . . . . 0.0 112.373 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 37.8 mttt -96.16 176.3 6.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -152.0 166.1 32.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -106.65 96.72 14.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.603 0.716 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 3.19 2.91 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -133.0 178.96 6.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -98.87 171.02 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.422 ' CD1' ' C ' ' A' ' 20' ' ' TRP . 1.2 t90 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.1 pttm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.751 0.31 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -65.52 173.02 2.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -109.6 -33.12 6.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.5 p -79.57 -40.02 30.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.456 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 p -115.99 -31.84 5.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 m 62.83 45.42 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -71.48 179.47 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.61 27.32 7.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -122.71 139.62 53.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -65.71 -40.32 92.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.8 mt -102.12 25.39 8.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -42.2 128.21 3.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 37' ' ' GLY . 2.0 m -78.94 147.68 32.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -34.03 147.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.456 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 19.9 p -105.37 -38.81 6.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 0.0 110.847 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.41 120.28 24.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -65.71 144.41 56.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 28.8 p90 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.98 -179.894 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 13' ' ' PRO . 95.8 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.652 0.739 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 12' ' ' VAL . 53.6 Cg_endo -69.78 93.9 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.324 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.453 ' HE2' ' CG ' ' A' ' 40' ' ' GLN . 70.9 mttt -95.24 164.58 12.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.428 ' CD1' ' O ' ' A' ' 39' ' ' ALA . 35.6 p90 -147.03 173.63 12.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -111.41 96.16 30.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 1.57 4.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.354 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -127.94 -174.82 3.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -96.84 165.45 12.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.557 ' HB3' ' CH2' ' A' ' 25' ' ' TRP . 16.6 p90 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.1 pttm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.78 0.324 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.557 ' CH2' ' HB3' ' A' ' 20' ' ' TRP . 71.4 m95 -97.0 166.42 11.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.1 mmm-85 -107.78 -13.75 14.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 p -97.47 -37.4 10.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.466 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.6 p -124.85 -26.42 3.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.2 t 56.85 53.28 8.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -83.8 160.62 21.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.08 -36.61 61.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -64.73 162.07 16.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -88.51 -50.59 6.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.961 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mp -103.55 26.98 7.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -41.27 144.91 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 37' ' ' GLY . 12.3 m -62.95 153.98 31.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.422 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -40.55 162.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 29.0 p -121.51 -33.18 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.428 ' O ' ' CD1' ' A' ' 15' ' ' TYR . . . -84.23 113.24 20.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.453 ' CG ' ' HE2' ' A' ' 14' ' ' LYS . 46.5 mt-30 -64.98 146.53 54.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.8 p90 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 -179.879 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.426 HG22 ' CE2' ' A' ' 41' ' ' TYR . 10.7 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.649 0.737 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 102.96 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.624 2.216 . . . . 0.0 112.389 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -82.72 173.63 11.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.559 ' CE1' ' HB1' ' A' ' 39' ' ' ALA . 28.6 p90 -151.31 175.53 12.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.417 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 88.9 m-70 -114.77 100.46 53.41 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.564 0.697 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 2.58 3.4 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -132.86 -175.91 3.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -91.35 171.87 8.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.548 ' HB3' ' CE3' ' A' ' 25' ' ' TRP . 14.6 p-90 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 pttm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.762 0.315 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.548 ' CE3' ' HB3' ' A' ' 20' ' ' TRP . 84.4 m95 -71.59 168.23 18.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -108.88 -30.96 7.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 p -79.67 -46.47 17.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.6 p -109.08 -31.58 7.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 m 60.97 44.74 10.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -73.63 145.77 45.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 31' ' ' LEU . 4.1 pp -81.73 41.58 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -137.77 145.96 43.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -70.62 -54.13 13.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mp -98.23 39.25 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.65 143.01 5.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.9 m -81.76 151.66 27.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.17 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -38.79 145.47 0.2 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.462 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 25.6 p -108.51 -41.98 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.372 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.559 ' HB1' ' CE1' ' A' ' 15' ' ' TYR . . . -71.49 157.76 37.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -106.04 124.12 49.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.489 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 2.3 p90 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.471 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 14.2 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.653 0.74 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 12' ' ' VAL . 53.5 Cg_endo -69.86 110.12 2.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.668 2.246 . . . . 0.0 112.286 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 84.0 mttt -103.86 176.91 5.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -161.28 168.12 24.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 80.3 m-70 -113.25 104.61 55.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.569 0.699 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 16' ' ' HIS . 53.3 Cg_endo -69.82 -5.14 15.54 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -131.9 -176.39 4.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' A' ' 20' ' ' TRP . 78.5 t80 -98.38 168.36 10.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.509 ' HB2' ' CD2' ' A' ' 25' ' ' TRP . 3.6 t90 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.8 pttm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.706 0.289 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.509 ' CD2' ' HB2' ' A' ' 20' ' ' TRP . 76.0 m95 -69.67 162.08 28.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -107.76 -19.46 13.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 p -93.17 -42.9 9.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.5 p -117.92 -17.25 9.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.2 p 40.61 45.29 1.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -64.72 174.26 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.437 ' O ' ' CD1' ' A' ' 31' ' ' LEU . 4.0 pp -110.26 41.91 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -128.67 175.16 8.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -93.8 -46.96 6.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 35' ' ' ALA . 1.2 pt? -110.56 33.41 4.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -37.85 129.87 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 37' ' ' GLY . 5.0 m -77.62 154.78 31.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.184 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.425 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -36.94 140.95 0.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 25.7 p -102.75 -39.43 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.24 134.36 44.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -92.38 147.88 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.425 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 6.6 p90 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 13' ' ' PRO . 90.2 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.617 0.722 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.57 ' HG2' ' CD1' ' A' ' 41' ' ' TYR . 53.4 Cg_endo -69.74 95.54 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.659 2.239 . . . . 0.0 112.332 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.422 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 37.0 mttt -96.85 172.7 7.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.479 ' CE1' ' HB1' ' A' ' 39' ' ' ALA . 43.0 p90 -152.34 169.7 21.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -110.06 97.97 32.48 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 1.58 4.26 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -133.61 179.54 6.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -101.91 170.17 8.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.1 t90 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.1 pttt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.734 0.302 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -92.17 167.25 12.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.2 mmt85 -106.05 -31.69 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -81.74 -44.43 17.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 4.6 p -116.22 -21.84 9.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.6 p 47.61 52.96 11.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -83.33 155.1 23.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.8 mt -61.94 -48.56 79.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -50.87 129.31 23.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -57.76 -50.73 72.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.7 mt -109.16 39.31 2.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -42.58 157.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 37' ' ' GLY . 7.3 m -82.9 153.89 24.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.178 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -34.21 144.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.516 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 24.3 p -107.6 -38.4 5.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.479 ' HB1' ' CE1' ' A' ' 15' ' ' TYR . . . -76.56 118.69 19.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.062 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -69.11 141.73 54.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.57 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 21.8 p90 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 13' ' ' PRO . 41.5 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.618 0.723 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.47 ' HD2' ' CG1' ' A' ' 12' ' ' VAL . 53.8 Cg_endo -69.78 95.66 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.631 2.221 . . . . 0.0 112.314 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.407 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 76.8 mttt -94.88 167.99 11.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.413 ' CE1' ' HB2' ' A' ' 39' ' ' ALA . 25.6 p90 -147.89 168.48 22.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.751 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 70.4 m-70 -109.51 99.75 38.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.6 0.714 . . . . 0.0 110.841 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.08 2.97 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.728 2.286 . . . . 0.0 112.343 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -135.99 -179.13 5.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -101.98 -177.91 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.578 ' O ' ' CE3' ' A' ' 20' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.488 ' N ' ' NE1' ' A' ' 20' ' ' TRP . 13.5 pttt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.715 0.293 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.751 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 75.0 m95 -73.42 163.53 27.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.934 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -106.87 -27.65 10.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 p -85.21 -40.71 16.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.46 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 p -115.82 -29.54 6.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.4 p 57.9 42.95 22.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -73.49 132.79 43.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -47.52 -34.82 8.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -66.36 151.48 47.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.9 pttm -90.4 -34.03 15.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.5 mt -110.34 28.8 8.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.74 146.78 12.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.065 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 37' ' ' GLY . 3.0 m -75.95 148.26 38.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -33.57 145.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.46 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 21.5 p -99.75 -41.9 7.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.413 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -70.73 126.42 29.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 41' ' ' TYR . 5.4 mt-30 -78.14 133.38 37.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 40' ' ' GLN . 1.6 p90 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.417 HG21 ' N ' ' A' ' 13' ' ' PRO . 5.3 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.637 0.732 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.417 ' N ' HG21 ' A' ' 12' ' ' VAL . 53.8 Cg_endo -69.75 103.82 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.647 2.231 . . . . 0.0 112.358 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 38.5 mttt -86.29 175.19 8.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -152.31 172.45 16.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 89.6 m-70 -111.51 105.45 56.77 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.613 0.721 . . . . 0.0 110.83 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 16' ' ' HIS . 53.9 Cg_endo -69.74 -2.8 10.77 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.72 2.28 . . . . 0.0 112.3 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -133.11 179.31 6.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -91.9 173.29 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.518 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 19.3 t90 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.4 pttt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.518 ' CE2' ' HB2' ' A' ' 20' ' ' TRP . 91.1 m95 -75.28 148.41 39.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -95.02 -24.74 16.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.7 p -85.33 -47.73 9.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 3.5 p -115.1 -26.12 7.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.416 ' N ' ' HB2' ' A' ' 25' ' ' TRP . 8.5 p 48.0 47.58 18.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -74.1 134.7 42.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 pp -53.97 -40.39 66.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -56.49 141.35 42.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -71.25 -56.24 6.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -87.95 29.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -37.76 145.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 37' ' ' GLY . 2.3 m -91.86 153.76 19.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -35.25 137.47 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.463 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 12.9 p -97.64 -42.06 7.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.53 137.03 36.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -83.98 124.93 31.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.475 HG11 ' CG ' ' A' ' 40' ' ' GLN . 15.3 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.604 0.716 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.465 ' HD2' ' CG1' ' A' ' 12' ' ' VAL . 53.9 Cg_endo -69.76 96.86 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.365 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' C ' ' HA3' ' A' ' 37' ' ' GLY . 52.0 mttt -95.76 171.12 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' A' ' 39' ' ' ALA . 22.4 p90 -143.17 170.79 15.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -112.42 95.81 33.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.585 0.707 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 3.17 2.91 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.354 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -141.88 157.69 44.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.426 ' CE1' ' HG3' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -80.82 177.26 9.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.465 ' HB3' ' CE3' ' A' ' 25' ' ' TRP . 8.6 p90 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 pttt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.465 ' CE3' ' HB3' ' A' ' 20' ' ' TRP . 79.0 m95 -90.24 172.01 9.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.426 ' HG3' ' CE1' ' A' ' 19' ' ' PHE . 12.6 mmm180 -107.26 -39.66 5.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.832 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 p -75.29 -38.95 60.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.466 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.6 p -116.38 -34.21 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 p 56.9 39.11 29.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -62.71 156.48 23.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mp -91.11 39.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -130.11 176.95 7.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -107.0 -39.95 5.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 35' ' ' ALA . 4.0 pp -99.6 14.25 30.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -35.03 134.67 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 37' ' ' GLY . 11.3 m -93.17 164.48 13.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -34.82 147.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 23.3 p -114.07 -35.22 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.842 0.353 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.532 ' O ' ' CD1' ' A' ' 15' ' ' TYR . . . -83.34 113.66 20.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.475 ' CG ' HG11 ' A' ' 12' ' ' VAL . 3.7 tt0 -50.53 142.51 10.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 33.7 p90 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.909 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 9.1 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.63 0.729 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 12' ' ' VAL . 53.8 Cg_endo -69.76 121.59 8.28 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.705 2.27 . . . . 0.0 112.364 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -107.81 175.3 5.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -150.95 169.52 21.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.556 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 70.8 m-70 -113.68 105.85 54.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.632 0.729 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -6.41 18.55 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.725 2.284 . . . . 0.0 112.35 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -135.8 175.55 9.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.17 178.02 5.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 26.7 p90 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.935 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.4 pttm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.749 0.309 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.556 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 80.8 m95 -91.71 169.13 10.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -104.95 -38.46 6.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -76.94 -43.64 34.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.453 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.6 p -109.71 -32.49 7.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 p 52.17 42.02 30.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -64.09 160.11 18.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.9 mt -93.21 39.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -131.17 170.71 14.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -89.02 -58.89 2.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -99.91 35.66 1.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.89 119.11 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 m -60.84 156.91 16.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.07 147.88 0.13 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.453 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 28.6 p -105.45 -42.15 5.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.55 134.6 39.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -80.85 134.86 35.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 3.1 p90 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.641 0.734 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.553 ' HG2' ' CD1' ' A' ' 41' ' ' TYR . 53.2 Cg_endo -69.8 118.61 5.78 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.308 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 91.6 mttt -116.01 169.36 9.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -144.65 173.8 11.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -116.14 102.77 53.68 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.566 0.698 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.07 2.96 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.65 2.234 . . . . 0.0 112.364 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -142.01 171.67 13.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -90.97 173.62 7.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.408 ' CD2' ' O ' ' A' ' 20' ' ' TRP . 30.4 p-90 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.4 pttm . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.818 0.342 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -93.75 169.13 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -106.12 -38.04 6.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.4 p -73.01 -50.73 21.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.7 p -106.95 -31.98 8.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.4 m 59.71 47.37 10.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -79.76 131.62 35.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 mp -82.29 50.49 1.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -124.53 167.15 14.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -75.43 -64.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 mt -107.02 42.18 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.01 119.05 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 37' ' ' GLY . 10.5 m -68.65 153.11 44.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.406 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -37.94 149.89 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 27.1 p -106.59 -39.05 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.79 138.26 41.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -83.48 136.7 34.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.968 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.553 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 46.6 p90 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.645 0.736 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.564 ' HG2' ' CD1' ' A' ' 41' ' ' TYR . 53.4 Cg_endo -69.76 113.72 3.47 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.318 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 48.9 mttt -106.81 175.64 5.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.402 ' CD1' ' O ' ' A' ' 39' ' ' ALA . 52.9 p90 -153.04 169.07 23.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.461 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 63.1 m-70 -112.93 100.06 50.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 16' ' ' HIS . 53.9 Cg_endo -69.81 -1.05 7.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.318 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -129.51 -175.59 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -93.53 171.56 8.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.549 ' HB2' ' CZ3' ' A' ' 25' ' ' TRP . 19.3 t90 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.3 pttt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.769 0.319 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.549 ' CZ3' ' HB2' ' A' ' 20' ' ' TRP . 84.8 m95 -73.71 159.0 33.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -101.15 -23.23 14.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.824 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.4 p -88.5 -47.25 8.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.7 p -110.2 -26.62 9.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.1 p 49.87 44.99 25.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -70.24 171.82 9.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.9 mt -86.5 -43.21 12.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -57.48 147.2 27.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.481 ' O ' ' CZ2' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -73.96 -56.1 5.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -96.94 34.84 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.92 147.96 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' GLY . 24.4 m -76.54 153.09 35.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -37.29 150.4 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.489 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 30.5 p -108.29 -41.97 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.402 ' O ' ' CD1' ' A' ' 15' ' ' TYR . . . -74.31 123.55 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.112 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -76.1 145.73 39.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.564 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 7.6 p90 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.467 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 12.5 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.681 0.753 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.48 ' HG2' ' CD2' ' A' ' 41' ' ' TYR . 53.8 Cg_endo -69.75 119.21 6.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -110.67 173.51 6.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -148.21 166.96 26.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.715 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 85.8 m-70 -110.86 105.58 57.21 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.583 0.706 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 2.88 3.15 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.355 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -134.88 177.79 7.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -96.45 173.12 7.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.9 p90 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 pttp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.743 0.306 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.715 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 82.2 m95 -96.88 164.35 12.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.936 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -103.3 -31.52 10.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -75.59 -46.33 32.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.44 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 p -109.18 -43.26 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m 73.92 45.94 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -81.03 140.57 35.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.403 ' C ' HD11 ' A' ' 31' ' ' LEU . 3.9 pp -59.25 -41.01 87.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -50.8 124.83 11.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -49.74 -60.76 2.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.9 mt -101.2 41.61 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.24 141.97 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.9 m -71.14 152.79 43.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.27 150.24 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.44 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 25.9 p -107.8 -37.17 6.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 110.838 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.16 120.73 26.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -57.28 135.92 56.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.48 ' CD2' ' HG2' ' A' ' 13' ' ' PRO . 10.0 p90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.669 0.747 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 104.74 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.256 . . . . 0.0 112.317 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 84.8 mttt -98.18 177.57 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -163.58 170.79 16.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.661 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 63.5 m-70 -114.4 102.12 54.63 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.582 0.705 . . . . 0.0 110.84 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 3.05 2.99 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.261 . . . . 0.0 112.33 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.418 ' CG ' ' HB2' ' A' ' 26' ' ' ARG . 2.0 t-20 -128.98 -179.76 5.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CE1' ' HG3' ' A' ' 26' ' ' ARG . 2.3 p90 -97.29 141.08 30.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.561 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 29.4 p-90 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.4 pttt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.785 0.326 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.661 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 73.5 m95 -90.72 178.68 6.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.56 ' HG3' ' CE1' ' A' ' 19' ' ' PHE . 23.1 mmm180 -110.57 -40.27 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 p -71.57 -42.3 67.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.2 p -115.07 -29.37 6.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 p 55.66 39.58 30.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -64.67 153.85 38.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.09 45.91 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -147.4 122.25 9.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -53.21 -58.14 8.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 pp -86.06 26.93 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.3 153.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.086 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 37' ' ' GLY . 3.3 m -94.03 144.23 25.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.1 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -34.27 143.95 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.471 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.462 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 30.1 p -103.52 -45.88 4.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.23 153.47 42.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -109.88 124.82 52.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.597 0.713 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 128.09 15.52 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -116.33 -179.79 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.499 ' CE1' ' HB1' ' A' ' 39' ' ' ALA . 36.9 p90 -157.53 164.01 37.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.781 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 58.4 m-70 -109.0 97.98 27.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.589 0.709 . . . . 0.0 110.873 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 3.39 2.79 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.276 . . . . 0.0 112.327 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -135.32 178.27 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -97.91 178.15 5.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.7 pttm . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.789 0.328 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.781 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 77.6 m95 -101.03 166.96 10.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' A' ' 26' ' ' ARG . 6.0 mmm180 -107.1 -34.93 7.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -77.01 -39.48 50.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.4 p -116.99 -37.47 3.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m 66.47 51.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -80.38 174.56 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.6 mt -90.77 -57.22 2.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -41.26 140.51 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -65.78 -46.65 77.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -109.86 36.45 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.0 131.66 26.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.4 m -55.23 153.58 6.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -43.59 154.94 0.23 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.543 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.459 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 27.9 p -103.91 -47.12 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.888 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.499 ' HB1' ' CE1' ' A' ' 15' ' ' TYR . . . -69.09 135.74 51.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -88.67 125.97 35.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.4 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.901 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.598 0.713 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 112.05 2.99 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.231 . . . . 0.0 112.337 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -102.58 -177.12 3.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.548 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 33.6 p90 -161.05 169.68 22.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.798 ' CD2' ' CH2' ' A' ' 25' ' ' TRP . 65.8 m-70 -114.16 105.86 53.68 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.708 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -8.24 23.11 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.691 2.261 . . . . 0.0 112.325 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -137.82 171.02 15.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.22 177.68 6.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 42.2 p-90 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 pttp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.758 0.313 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.798 ' CH2' ' CD2' ' A' ' 16' ' ' HIS . 80.3 m95 -67.42 169.91 8.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -107.34 -36.7 6.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 p -79.73 -41.9 25.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 p -112.25 -27.96 8.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.7 p 50.64 47.9 23.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -77.66 152.34 33.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 mp -76.16 -41.81 48.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -43.95 134.09 4.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -51.88 -60.74 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.5 mt -100.51 43.94 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -39.6 116.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 37' ' ' GLY . 4.5 m -62.44 156.12 23.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -37.7 144.77 0.16 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 26.9 p -103.62 -43.81 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.861 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.548 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . . . -69.35 154.58 41.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -107.29 139.82 41.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.1 p90 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.874 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.467 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 9.4 p . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.602 0.715 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 12' ' ' VAL . 53.8 Cg_endo -69.82 102.44 1.04 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 77.2 mttt -101.56 178.73 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -158.4 168.62 26.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.686 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 74.8 m-70 -111.75 100.61 48.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.595 0.712 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 3.07 3.0 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.629 2.219 . . . . 0.0 112.379 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.409 ' CG ' ' HB2' ' A' ' 26' ' ' ARG . 4.2 t-20 -136.67 168.7 19.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -88.77 -177.35 5.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 5.8 t90 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.9 pttm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.781 0.324 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.686 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 77.7 m95 -69.43 167.89 15.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.975 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.409 ' HB2' ' CG ' ' A' ' 18' ' ' ASN . 16.4 mmm180 -109.53 -31.78 7.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.4 p -81.76 -42.22 20.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.1 p -112.22 -30.55 7.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.8 m 58.36 43.88 19.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -66.36 -178.46 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.404 ' C ' HD11 ' A' ' 31' ' ' LEU . 3.8 pp -116.15 19.16 15.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -116.59 134.95 54.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.52 -50.22 65.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 pp -104.7 30.89 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -37.06 129.27 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 m -65.34 150.13 48.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.19 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.421 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -41.35 149.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.456 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.461 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 28.7 p -108.75 -34.77 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 0.0 110.884 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.23 123.25 27.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.048 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -82.17 144.96 30.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.1 p90 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.864 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.637 0.732 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 106.2 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.266 . . . . 0.0 112.375 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HE2' ' CD ' ' A' ' 40' ' ' GLN . 95.9 mttt -101.12 175.49 5.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -155.42 172.46 18.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -116.65 102.67 53.16 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.592 0.711 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -6.57 18.94 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.747 2.298 . . . . 0.0 112.322 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -135.55 175.34 9.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -115.45 160.21 20.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.457 ' O ' ' CG ' ' A' ' 20' ' ' TRP . 15.4 p-90 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.9 pttt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.829 0.347 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -74.27 154.75 38.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -101.92 -25.38 13.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -86.93 -45.15 11.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.7 p -108.95 -32.94 7.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.8 p 57.2 48.05 15.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -81.04 128.98 34.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -44.21 -32.62 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -59.51 174.22 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.407 ' NZ ' ' CZ2' ' A' ' 20' ' ' TRP . 6.0 tmtm? -102.95 -52.82 2.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -106.68 35.79 2.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.46 145.82 1.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 37' ' ' GLY . 3.4 m -72.52 149.39 44.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -33.9 142.29 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.475 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.459 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 26.5 p -101.38 -47.79 4.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.856 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.64 138.75 56.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.411 ' CD ' ' HE2' ' A' ' 14' ' ' LYS . 5.5 mp0 -89.71 147.11 24.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 39.5 p90 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 -179.914 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.408 ' CG2' ' HG2' ' A' ' 40' ' ' GLN . 2.5 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.676 0.751 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.62 16.29 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.673 2.249 . . . . 0.0 112.362 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 97.6 mttt -116.85 178.95 4.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -157.41 170.53 22.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.459 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 67.8 m-70 -111.72 100.87 49.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.62 0.724 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 16' ' ' HIS . 54.1 Cg_endo -69.79 1.8 4.13 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.665 2.244 . . . . 0.0 112.35 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -131.32 -174.25 3.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -101.49 160.25 14.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 35.6 t90 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' A' ' 29' ' ' SER . 18.8 pttt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.736 0.303 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.459 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 75.7 m95 -84.96 171.5 12.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -106.39 -25.53 11.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 p -86.14 -48.28 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 p -107.03 -31.07 8.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.416 ' HB3' ' NZ ' ' A' ' 24' ' ' LYS . 50.1 m 62.35 49.0 4.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -88.19 150.92 23.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.4 mt -76.13 -46.4 28.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -38.91 118.3 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -48.86 -55.65 11.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.8 mt -100.57 45.92 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.15 152.91 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 37' ' ' GLY . 2.7 m -94.47 148.67 22.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -33.81 136.66 0.22 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 19.8 p -94.71 -43.08 8.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.839 0.352 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.3 141.46 34.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.068 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.408 ' HG2' ' CG2' ' A' ' 12' ' ' VAL . 52.4 mt-30 -88.31 148.8 24.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.4 p90 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.857 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.619 0.723 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 96.9 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 40' ' ' GLN . 2.0 mtmp? -91.26 -175.49 4.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.417 ' CD1' ' O ' ' A' ' 39' ' ' ALA . 29.3 p90 -155.92 169.16 25.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.469 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 73.5 m-70 -111.19 97.36 34.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.611 0.719 . . . . 0.0 110.856 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 3.24 2.89 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -133.02 -177.33 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -95.6 163.66 13.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.553 ' CZ3' ' HA ' ' A' ' 24' ' ' LYS . 1.7 t-105 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.553 ' HA ' ' CZ3' ' A' ' 20' ' ' TRP . 20.5 pttm . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.749 0.309 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.469 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 86.0 m95 -66.48 160.88 24.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -105.41 -24.32 12.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -86.22 -43.52 12.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.467 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.0 p -114.6 -25.05 8.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.453 ' HB2' ' CE ' ' A' ' 24' ' ' LYS . 26.1 p 48.27 43.88 19.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.809 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -61.89 -177.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 pp -114.32 24.05 12.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -113.76 169.28 9.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -79.85 -59.89 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.4 mt -114.5 39.2 2.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -39.63 146.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.07 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.445 HG22 ' N ' ' A' ' 37' ' ' GLY . 8.6 m -76.01 156.43 34.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.445 ' N ' HG22 ' A' ' 36' ' ' THR . . . -37.49 148.54 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 19.9 p -105.82 -43.87 4.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.422 ' C ' ' HG2' ' A' ' 14' ' ' LYS . . . -72.22 110.74 6.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.468 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 21.5 mt-30 -73.84 137.36 43.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.1 p90 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.867 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.619 0.723 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 41' ' ' TYR . 53.8 Cg_endo -69.8 121.59 8.27 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -112.54 177.69 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 39' ' ' ALA . 30.3 p90 -151.59 169.81 21.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -116.58 107.17 47.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.575 0.703 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -7.63 21.55 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -129.7 -174.91 3.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CE2' ' O ' ' A' ' 20' ' ' TRP . 61.2 t80 -123.43 160.99 25.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.597 ' O ' ' CE3' ' A' ' 20' ' ' TRP . 1.1 t90 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.4 pttm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.735 0.303 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -76.53 153.31 35.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -101.11 -13.37 18.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.6 p -94.87 -35.62 11.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.9 p -121.59 -38.41 2.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 m 73.41 34.02 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -75.36 143.29 42.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.3 mt -68.42 -43.38 77.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -45.38 132.74 7.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -70.87 -45.1 65.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mp -102.21 40.08 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.59 164.22 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 37' ' ' GLY . 20.3 m -106.19 165.53 11.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -37.27 152.91 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 25.4 p -119.24 -34.98 3.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.869 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.596 ' O ' ' CD1' ' A' ' 15' ' ' TYR . . . -87.58 115.5 25.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -53.46 130.29 35.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.479 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -173.55 174.92 3.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t -161.36 137.06 7.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.67 103.36 0.41 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -142.56 161.04 39.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.358 . . . . 0.0 110.871 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -132.79 148.41 52.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.81 -168.32 19.16 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -114.04 144.67 42.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.367 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.414 ' OD1' ' C ' ' A' ' 9' ' ' ASN . 0.9 OUTLIER -96.01 157.48 15.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.8 p -105.86 -48.42 3.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.463 HD13 ' N ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -123.09 148.64 45.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.945 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.475 ' CG1' ' HD2' ' A' ' 13' ' ' PRO . 4.8 t -35.81 136.37 0.49 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.605 0.717 . . . . 0.0 111.125 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 12' ' ' VAL . 53.5 Cg_endo -69.74 98.71 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.722 2.282 . . . . 0.0 112.373 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 37.8 mttt -96.16 176.3 6.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -152.0 166.1 32.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -106.65 96.72 14.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.603 0.716 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 3.19 2.91 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -133.0 178.96 6.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -98.87 171.02 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.422 ' CD1' ' C ' ' A' ' 20' ' ' TRP . 1.2 t90 -110.24 121.28 44.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.7 mtm -150.19 147.7 28.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.6 t70 71.31 45.89 0.46 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 49.21 35.55 20.06 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -174.76 145.86 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.751 0.31 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -65.52 173.02 2.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -109.6 -33.12 6.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.5 p -79.57 -40.02 30.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.456 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 p -115.99 -31.84 5.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 m 62.83 45.42 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -71.48 179.47 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.61 27.32 7.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -122.71 139.62 53.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -65.71 -40.32 92.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.8 mt -102.12 25.39 8.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -42.2 128.21 3.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 37' ' ' GLY . 2.0 m -78.94 147.68 32.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -34.03 147.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.456 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 19.9 p -105.37 -38.81 6.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 0.0 110.847 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.41 120.28 24.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -65.71 144.41 56.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -48.1 175.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.98 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -125.05 117.37 25.72 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.63 0.728 . . . . 0.0 110.888 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -50.11 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.707 2.271 . . . . 0.0 112.329 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.6 p -72.33 -60.03 2.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -60.33 91.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -169.88 172.52 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -124.09 42.15 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.5 m -158.83 156.78 30.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -139.6 144.03 37.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.454 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 70.7 tttt -125.0 139.33 33.34 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 110.879 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.454 ' HD2' ' CG ' ' A' ' 50' ' ' LYS . 53.8 Cg_endo -69.7 177.51 5.47 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.736 2.291 . . . . 0.0 112.344 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.4 mt -73.16 154.48 90.48 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.6 0.714 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 148.27 65.08 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.718 2.278 . . . . 0.0 112.375 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -173.43 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.638 2.226 . . . . 0.0 112.357 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 37.2 p -106.55 147.29 34.69 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.539 0.685 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 177.77 5.25 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.665 2.243 . . . . 0.0 112.312 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -101.34 -178.49 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' ASN . 3.0 p30 -89.86 -179.2 5.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' ASP . 4.1 m120 -36.27 146.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.2 176.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -170.38 148.39 2.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.592 0.71 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 168.37 21.79 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.684 2.256 . . . . 0.0 112.365 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.499 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -111.58 58.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 15.6 p-90 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.914 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.0 p -171.16 150.9 3.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.932 0.396 . . . . 0.0 110.806 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 t -154.68 153.9 32.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.52 -126.58 2.33 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -152.17 152.17 31.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.36 . . . . 0.0 110.881 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -95.31 154.58 17.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.54 84.24 0.82 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -120.09 167.34 12.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -98.81 100.91 12.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t 42.0 46.69 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.409 ' C ' HG21 ' A' ' 12' ' ' VAL . 7.5 tt -115.53 137.0 52.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 13' ' ' PRO . 95.8 t -140.95 138.7 18.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.652 0.739 . . . . 0.0 111.094 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 12' ' ' VAL . 53.6 Cg_endo -69.78 93.9 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.324 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.453 ' HE2' ' CG ' ' A' ' 40' ' ' GLN . 70.9 mttt -95.24 164.58 12.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.428 ' CD1' ' O ' ' A' ' 39' ' ' ALA . 35.6 p90 -147.03 173.63 12.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -111.41 96.16 30.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 1.57 4.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.354 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -127.94 -174.82 3.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -96.84 165.45 12.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.557 ' HB3' ' CH2' ' A' ' 25' ' ' TRP . 16.6 p90 -116.14 100.15 7.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.3 mmt -64.9 169.37 5.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -75.73 48.48 0.47 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -174.1 -30.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -172.58 -179.58 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.78 0.324 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.557 ' CH2' ' HB3' ' A' ' 20' ' ' TRP . 71.4 m95 -97.0 166.42 11.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.1 mmm-85 -107.78 -13.75 14.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 p -97.47 -37.4 10.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.466 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.6 p -124.85 -26.42 3.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.2 t 56.85 53.28 8.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -83.8 160.62 21.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.08 -36.61 61.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -64.73 162.07 16.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -88.51 -50.59 6.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.961 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mp -103.55 26.98 7.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -41.27 144.91 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 37' ' ' GLY . 12.3 m -62.95 153.98 31.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.422 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -40.55 162.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 29.0 p -121.51 -33.18 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.428 ' O ' ' CD1' ' A' ' 15' ' ' TYR . . . -84.23 113.24 20.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.453 ' CG ' ' HE2' ' A' ' 14' ' ' LYS . 46.5 mt-30 -64.98 146.53 54.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.557 ' CE1' ' HD3' ' A' ' 43' ' ' PRO . 21.8 p90 -50.67 177.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -136.53 106.14 9.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.577 0.704 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.557 ' HD3' ' CE1' ' A' ' 41' ' ' TYR . 53.7 Cg_endo -69.79 -44.79 1.85 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.6 t -47.72 -41.44 22.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -39.61 -55.43 1.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 47' ' ' ALA . 42.8 t-20 -125.72 -59.46 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 46' ' ' ASN . . . -34.83 144.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.9 p 50.21 44.45 26.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.0 tttt -63.94 -52.4 59.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -63.29 152.92 83.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.585 0.707 . . . . 0.0 110.894 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 171.23 14.85 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.354 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.2 mt -117.19 149.34 44.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.661 0.743 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 169.76 18.11 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.665 2.244 . . . . 0.0 112.387 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 161.48 45.78 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.341 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.08 159.65 61.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.572 0.701 . . . . 0.0 111.15 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 2.78 3.21 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.677 2.251 . . . . 0.0 112.355 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 58' ' ' ASP . 10.3 mm-40 -47.9 175.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 57' ' ' GLU . 4.9 t70 -34.61 136.69 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -58.83 179.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.9 ptt85 -110.53 -177.04 3.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -117.26 156.25 48.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -179.36 2.88 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.713 2.276 . . . . 0.0 112.308 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 64' ' ' TRP . 3.9 mm? -80.58 43.4 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.447 ' C ' ' O ' ' A' ' 63' ' ' LEU . 8.5 m-90 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 t -89.27 123.18 33.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.874 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 t -118.16 42.14 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -145.81 123.74 1.93 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 4' ' ' GLY . 72.1 m -36.05 -55.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.891 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -52.28 166.27 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.808 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.68 116.51 2.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -128.31 103.5 7.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -120.59 39.98 3.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -119.1 154.32 33.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.76 155.99 22.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.426 HG22 ' CE2' ' A' ' 41' ' ' TYR . 10.7 p -85.16 124.42 72.12 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.649 0.737 . . . . 0.0 111.118 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 102.96 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.624 2.216 . . . . 0.0 112.389 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -82.72 173.63 11.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.559 ' CE1' ' HB1' ' A' ' 39' ' ' ALA . 28.6 p90 -151.31 175.53 12.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.417 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 88.9 m-70 -114.77 100.46 53.41 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.564 0.697 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 2.58 3.4 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -132.86 -175.91 3.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -91.35 171.87 8.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.548 ' HB3' ' CE3' ' A' ' 25' ' ' TRP . 14.6 p-90 -126.56 97.17 4.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 22' ' ' ASP . 8.2 mtt -74.75 146.68 41.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 21' ' ' MET . 7.4 p-10 -34.81 -39.91 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.818 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.86 -57.12 10.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -174.4 178.24 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.548 ' CE3' ' HB3' ' A' ' 20' ' ' TRP . 84.4 m95 -71.59 168.23 18.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -108.88 -30.96 7.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 p -79.67 -46.47 17.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.6 p -109.08 -31.58 7.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 m 60.97 44.74 10.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -73.63 145.77 45.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 31' ' ' LEU . 4.1 pp -81.73 41.58 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -137.77 145.96 43.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -70.62 -54.13 13.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mp -98.23 39.25 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.65 143.01 5.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.9 m -81.76 151.66 27.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.17 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -38.79 145.47 0.2 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.462 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 25.6 p -108.51 -41.98 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.372 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.559 ' HB1' ' CE1' ' A' ' 15' ' ' TYR . . . -71.49 157.76 37.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -106.04 124.12 49.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.553 ' CE1' ' HB2' ' A' ' 47' ' ' ALA . 2.3 p90 -45.65 165.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.433 ' CB ' ' HE3' ' A' ' 45' ' ' LYS . 20.4 m-20 -118.76 121.58 30.56 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.718 . . . . 0.0 110.852 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -43.72 2.51 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 45' ' ' LYS . 10.2 t -59.34 -43.7 92.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.446 ' N ' HG23 ' A' ' 44' ' ' THR . 36.2 mtmt -80.72 -67.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -166.91 128.68 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.553 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . . . -137.57 134.61 35.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.4 t -112.61 83.2 1.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.415 ' C ' ' HD2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -120.88 -51.72 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.462 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 35.1 ttmt -172.63 139.57 0.95 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.537 0.684 . . . . 0.0 110.928 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 50' ' ' LYS . 53.9 Cg_endo -69.78 168.37 21.78 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 42.5 mt -152.04 153.6 31.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.589 0.709 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 147.7 62.96 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.623 2.215 . . . . 0.0 112.344 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 149.8 67.27 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.656 2.237 . . . . 0.0 112.369 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.3 p -122.26 151.38 58.95 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.574 0.702 . . . . 0.0 111.128 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 57' ' ' GLU . 54.0 Cg_endo -69.74 3.0 3.02 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 56' ' ' PRO . 8.7 mp0 34.8 41.65 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.59 -45.41 2.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -133.35 164.84 26.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -71.98 -61.18 1.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -73.67 143.68 82.22 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.616 0.722 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 152.35 69.38 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.714 2.276 . . . . 0.0 112.345 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.487 ' O ' ' CG ' ' A' ' 64' ' ' TRP . 1.7 pt? -126.18 38.78 4.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.487 ' CG ' ' O ' ' A' ' 63' ' ' LEU . 46.9 p90 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.3 p 43.02 42.19 3.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.818 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.6 m -46.84 166.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.76 -99.32 0.12 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.498 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -56.94 146.13 27.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -78.15 175.17 10.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.857 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.72 -152.25 5.6 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -61.05 167.88 2.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -96.73 -61.54 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.1 m -117.1 45.14 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -124.54 40.23 3.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.471 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 14.2 p -150.64 136.76 10.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.653 0.74 . . . . 0.0 111.085 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 12' ' ' VAL . 53.5 Cg_endo -69.86 110.12 2.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.668 2.246 . . . . 0.0 112.286 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 84.0 mttt -103.86 176.91 5.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -161.28 168.12 24.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 80.3 m-70 -113.25 104.61 55.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.569 0.699 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 16' ' ' HIS . 53.3 Cg_endo -69.82 -5.14 15.54 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -131.9 -176.39 4.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' A' ' 20' ' ' TRP . 78.5 t80 -98.38 168.36 10.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.509 ' HB2' ' CD2' ' A' ' 25' ' ' TRP . 3.6 t90 -112.68 105.47 13.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' GLY . 20.2 mmt -78.64 145.34 34.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 21' ' ' MET . 47.4 m-20 -34.72 -34.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' MET . . . -73.13 -56.34 5.78 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -174.63 178.95 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.706 0.289 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.509 ' CD2' ' HB2' ' A' ' 20' ' ' TRP . 76.0 m95 -69.67 162.08 28.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -107.76 -19.46 13.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 p -93.17 -42.9 9.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.5 p -117.92 -17.25 9.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.2 p 40.61 45.29 1.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -64.72 174.26 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.437 ' O ' ' CD1' ' A' ' 31' ' ' LEU . 4.0 pp -110.26 41.91 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -128.67 175.16 8.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -93.8 -46.96 6.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 35' ' ' ALA . 1.2 pt? -110.56 33.41 4.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -37.85 129.87 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 37' ' ' GLY . 5.0 m -77.62 154.78 31.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.184 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.425 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -36.94 140.95 0.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 25.7 p -102.75 -39.43 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.24 134.36 44.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -92.38 147.88 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.425 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 6.6 p90 -47.85 161.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -108.63 122.12 41.19 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.598 0.713 . . . . 0.0 110.832 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -30.7 21.73 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.666 2.244 . . . . 0.0 112.375 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 t -166.99 129.84 1.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -130.61 -33.54 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 47' ' ' ALA . 0.5 OUTLIER -83.22 44.98 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 46' ' ' ASN . . . 34.91 42.97 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.9 m -173.45 146.38 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -94.73 90.46 6.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.34 152.83 28.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.586 0.708 . . . . 0.0 110.885 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 146.23 59.91 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.716 2.278 . . . . 0.0 112.323 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.415 ' CD2' ' HD2' ' A' ' 53' ' ' PRO . 15.6 mt -136.03 159.25 71.75 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.603 0.716 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.415 ' HD2' ' CD2' ' A' ' 52' ' ' LEU . 53.7 Cg_endo -69.73 169.85 17.92 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.36 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 161.98 43.84 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.297 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.3 p -131.27 154.08 81.85 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.626 0.727 . . . . 0.0 111.177 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 57' ' ' GLU . 53.7 Cg_endo -69.77 -177.09 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.662 2.242 . . . . 0.0 112.345 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 56' ' ' PRO . 9.6 tp10 -37.12 122.87 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 59' ' ' ASN . 22.6 t0 -52.35 -55.66 20.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 58' ' ' ASP . 28.6 t-20 -35.22 145.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 73.01 40.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -45.42 152.48 0.65 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.624 0.726 . . . . 0.0 110.841 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 157.61 59.75 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.681 2.254 . . . . 0.0 112.333 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -89.34 37.25 0.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 19.8 m95 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.905 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.2 p 43.6 42.01 3.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 0.0 110.894 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 t -163.47 164.72 24.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.37 145.56 4.15 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -162.59 136.28 6.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.891 0.376 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 m -99.51 -54.15 3.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.7 112.51 0.48 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -139.61 131.48 27.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -124.26 43.81 2.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.1 t -163.43 156.75 19.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.9 tp 51.08 40.52 25.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 13' ' ' PRO . 90.2 t -84.51 135.91 40.44 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.617 0.722 . . . . 0.0 111.131 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.57 ' HG2' ' CD1' ' A' ' 41' ' ' TYR . 53.4 Cg_endo -69.74 95.54 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.659 2.239 . . . . 0.0 112.332 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.422 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 37.0 mttt -96.85 172.7 7.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.479 ' CE1' ' HB1' ' A' ' 39' ' ' ALA . 43.0 p90 -152.34 169.7 21.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -110.06 97.97 32.48 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 1.58 4.26 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -133.61 179.54 6.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -101.91 170.17 8.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -102.53 128.0 49.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 48.7 mtm -149.23 164.9 33.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.864 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 50.1 46.23 24.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.07 40.06 50.65 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.1 pttt -174.64 175.64 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.734 0.302 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -92.17 167.25 12.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.2 mmt85 -106.05 -31.69 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -81.74 -44.43 17.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 4.6 p -116.22 -21.84 9.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.6 p 47.61 52.96 11.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -83.33 155.1 23.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.8 mt -61.94 -48.56 79.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -50.87 129.31 23.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -57.76 -50.73 72.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.7 mt -109.16 39.31 2.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -42.58 157.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 37' ' ' GLY . 7.3 m -82.9 153.89 24.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.178 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -34.21 144.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.516 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 24.3 p -107.6 -38.4 5.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.479 ' HB1' ' CE1' ' A' ' 15' ' ' TYR . . . -76.56 118.69 19.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.062 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -69.11 141.73 54.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.57 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 21.8 p90 -52.04 -177.24 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -125.23 104.51 28.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.625 0.726 . . . . 0.0 110.815 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 2.77 3.22 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.2 t -174.93 129.03 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.122 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.69 -47.25 1.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -124.29 -49.66 1.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.82 168.05 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.064 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 m -161.91 172.73 15.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -166.33 120.44 1.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -127.44 158.43 69.71 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.544 0.687 . . . . 0.0 110.916 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -179.77 3.15 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mp -127.63 151.53 75.37 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.614 0.721 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 168.61 21.09 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.694 2.263 . . . . 0.0 112.331 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 163.13 39.39 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.662 2.242 . . . . 0.0 112.366 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.2 p -129.96 157.51 76.68 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.541 0.686 . . . . 0.0 111.136 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 57' ' ' GLU . 53.9 Cg_endo -69.75 -178.47 2.35 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.655 2.237 . . . . 0.0 112.322 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 56' ' ' PRO . 27.0 mt-10 -34.55 108.39 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.27 176.22 8.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -108.98 130.91 55.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.412 ' HD2' ' C ' ' A' ' 60' ' ' ARG . 1.6 ppt_? -119.58 170.78 8.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.96 146.41 60.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.558 0.694 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 178.24 4.77 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.689 2.259 . . . . 0.0 112.355 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.39 -28.17 15.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.961 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 29.0 m95 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -136.47 164.6 27.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.387 . . . . 0.0 110.849 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -156.32 161.37 40.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.25 -178.91 16.28 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.486 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -96.52 136.38 37.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.381 . . . . 0.0 110.876 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 p -68.77 136.36 52.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.62 -84.63 1.76 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 53.18 41.79 32.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.8 m120 46.63 43.06 12.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.1 p -89.18 161.48 16.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 mp -51.79 178.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 13' ' ' PRO . 41.5 t -94.07 137.44 22.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 111.098 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.47 ' HD2' ' CG1' ' A' ' 12' ' ' VAL . 53.8 Cg_endo -69.78 95.66 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.631 2.221 . . . . 0.0 112.314 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 76.8 mttt -94.88 167.99 11.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.413 ' CE1' ' HB2' ' A' ' 39' ' ' ALA . 25.6 p90 -147.89 168.48 22.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.751 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 70.4 m-70 -109.51 99.75 38.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.6 0.714 . . . . 0.0 110.841 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.08 2.97 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.728 2.286 . . . . 0.0 112.343 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -135.99 -179.13 5.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -101.98 -177.91 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.578 ' CE3' ' O ' ' A' ' 20' ' ' TRP . 0.8 OUTLIER -112.08 123.35 50.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 24' ' ' LYS . 8.4 mmt -130.34 176.69 7.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.481 ' C ' ' O ' ' A' ' 21' ' ' MET . 12.4 p-10 31.76 49.41 0.12 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.78 46.32 54.6 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.488 ' N ' ' NE1' ' A' ' 20' ' ' TRP . 13.5 pttt -175.77 164.76 3.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.715 0.293 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.751 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 75.0 m95 -73.42 163.53 27.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.934 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -106.87 -27.65 10.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 p -85.21 -40.71 16.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.46 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 p -115.82 -29.54 6.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.4 p 57.9 42.95 22.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -73.49 132.79 43.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -47.52 -34.82 8.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -66.36 151.48 47.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.9 pttm -90.4 -34.03 15.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.5 mt -110.34 28.8 8.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.74 146.78 12.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.065 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 37' ' ' GLY . 3.0 m -75.95 148.26 38.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -33.57 145.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.46 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 21.5 p -99.75 -41.9 7.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.413 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . . . -70.73 126.42 29.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 41' ' ' TYR . 5.4 mt-30 -78.14 133.38 37.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 40' ' ' GLN . 1.6 p90 -49.65 -179.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.29 103.07 53.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.588 0.709 . . . . 0.0 110.915 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -43.52 2.63 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.337 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.9 p -86.87 78.1 9.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 46' ' ' ASN . 3.4 mmmm -132.0 72.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' LYS . 16.3 t-20 37.42 43.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.14 177.2 7.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.8 t -137.41 147.66 45.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -19.87 61.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.441 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 29.8 tttm -161.78 139.65 6.79 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.562 0.696 . . . . 0.0 110.921 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.441 ' HD2' ' CG ' ' A' ' 50' ' ' LYS . 54.4 Cg_endo -69.71 134.04 27.12 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.68 2.254 . . . . 0.0 112.346 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.56 159.38 85.51 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.701 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.74 18.17 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.656 2.237 . . . . 0.0 112.366 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 142.26 47.4 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.349 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.28 160.69 44.74 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.586 0.708 . . . . 0.0 111.1 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 57' ' ' GLU . 53.9 Cg_endo -69.76 -176.67 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.655 2.237 . . . . 0.0 112.387 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 56' ' ' PRO . 1.4 pt-20 -34.34 118.77 0.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 59' ' ' ASN . 20.6 m-20 -126.27 172.62 9.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 58' ' ' ASP . 73.2 m-80 -163.93 145.97 9.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 59' ' ' ASN . 23.6 ptt180 -34.55 139.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.21 138.42 21.81 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 110.858 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -178.7 2.47 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.297 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 64' ' ' TRP . 0.7 OUTLIER -133.97 36.36 3.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.529 ' CD2' ' O ' ' A' ' 64' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 t -168.64 139.57 2.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.923 0.392 . . . . 0.0 110.865 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.4 p -133.67 147.85 51.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.815 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.15 111.03 3.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.3 m -57.12 -50.88 71.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.82 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.6 p -40.11 130.79 2.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.4 85.63 0.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.516 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -105.88 110.3 22.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -44.86 -59.69 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.2 m -50.86 162.83 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.827 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.448 ' N ' HD23 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -47.82 176.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.894 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.417 HG21 ' N ' ' A' ' 13' ' ' PRO . 5.3 p -84.69 135.48 40.44 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.637 0.732 . . . . 0.0 111.13 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.417 ' N ' HG21 ' A' ' 12' ' ' VAL . 53.8 Cg_endo -69.75 103.82 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.647 2.231 . . . . 0.0 112.358 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 38.5 mttt -86.29 175.19 8.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -152.31 172.45 16.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 89.6 m-70 -111.51 105.45 56.77 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.613 0.721 . . . . 0.0 110.83 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 16' ' ' HIS . 53.9 Cg_endo -69.74 -2.8 10.77 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.72 2.28 . . . . 0.0 112.3 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -133.11 179.31 6.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -91.9 173.29 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.518 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 19.3 t90 -117.92 99.54 6.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.487 ' O ' ' N ' ' A' ' 23' ' ' GLY . 5.4 mmt -74.47 144.83 44.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.853 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 21' ' ' MET . 0.6 OUTLIER -34.42 -33.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 21' ' ' MET . . . -73.93 -58.89 4.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.479 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -175.03 -176.97 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.518 ' CE2' ' HB2' ' A' ' 20' ' ' TRP . 91.1 m95 -75.28 148.41 39.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -95.02 -24.74 16.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.7 p -85.33 -47.73 9.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 3.5 p -115.1 -26.12 7.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.416 ' N ' ' HB2' ' A' ' 25' ' ' TRP . 8.5 p 48.0 47.58 18.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -74.1 134.7 42.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 pp -53.97 -40.39 66.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -56.49 141.35 42.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -71.25 -56.24 6.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -87.95 29.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -37.76 145.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 37' ' ' GLY . 2.3 m -91.86 153.76 19.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -35.25 137.47 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.463 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 12.9 p -97.64 -42.06 7.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.53 137.03 36.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -83.98 124.93 31.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 1.0 OUTLIER -43.21 153.03 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.883 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.499 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 67.5 m-20 -125.29 119.4 24.99 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.609 0.719 . . . . 0.0 110.853 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -49.52 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.403 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 45' ' ' LYS . 7.6 t -60.89 -47.71 85.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -34.94 -50.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 42' ' ' ASP . 2.2 p30 -101.46 -55.48 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.51 136.93 53.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.1 t -100.73 86.57 3.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -117.94 -56.58 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.459 ' CD ' ' HD2' ' A' ' 51' ' ' PRO . 37.2 mmtt -68.64 159.79 80.04 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.52 0.676 . . . . 0.0 110.889 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.459 ' HD2' ' CD ' ' A' ' 50' ' ' LYS . 53.4 Cg_endo -69.74 134.3 27.7 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.633 2.222 . . . . 0.0 112.395 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 46.5 mt -95.26 154.52 39.45 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.598 0.714 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 169.68 18.35 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 170.64 16.08 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.673 2.249 . . . . 0.0 112.351 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.7 p -109.44 151.32 42.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.572 0.701 . . . . 0.0 111.136 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 2.92 3.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.38 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -110.01 36.73 2.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -77.86 170.43 16.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -87.05 -57.54 2.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.3 ttt-85 -122.49 127.73 49.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.2 ptt85 -140.27 142.93 31.52 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.556 0.693 . . . . 0.0 110.91 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 146.61 60.81 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.694 2.262 . . . . 0.0 112.303 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.8 mt -133.69 76.54 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 13.3 p-90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 179.89 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.434 ' N ' ' HD3' ' A' ' 50' ' ' LYS . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 m -123.18 42.08 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.362 . . . . 0.0 110.845 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.0 p -171.31 174.35 4.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.0 72.1 0.94 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.514 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -112.96 -49.69 2.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.875 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 t -146.06 110.05 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.16 -176.95 42.06 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -108.58 42.72 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.46 ' HB3' ' CD1' ' A' ' 11' ' ' LEU . 53.7 m-80 -157.15 137.28 12.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.5 p -97.7 -54.99 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 9' ' ' ASN . 4.9 mp 58.53 44.95 17.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.475 HG11 ' CG ' ' A' ' 40' ' ' GLN . 15.3 t -100.58 136.51 19.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.604 0.716 . . . . 0.0 111.129 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.465 ' HD2' ' CG1' ' A' ' 12' ' ' VAL . 53.9 Cg_endo -69.76 96.86 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.365 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' C ' ' HA3' ' A' ' 37' ' ' GLY . 52.0 mttt -95.76 171.12 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' A' ' 39' ' ' ALA . 22.4 p90 -143.17 170.79 15.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -112.42 95.81 33.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.585 0.707 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 3.17 2.91 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.354 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -141.88 157.69 44.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.492 ' CE1' ' HE2' ' A' ' 21' ' ' MET . 0.7 OUTLIER -80.82 177.26 9.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.465 ' HB3' ' CE3' ' A' ' 25' ' ' TRP . 8.6 p90 -119.5 133.66 55.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.492 ' HE2' ' CE1' ' A' ' 19' ' ' PHE . 34.1 mtm -150.28 151.17 32.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.1 t0 67.88 43.08 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.37 39.74 83.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 pttt -173.13 167.59 4.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.465 ' CE3' ' HB3' ' A' ' 20' ' ' TRP . 79.0 m95 -90.24 172.01 9.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.426 ' HG3' ' CE1' ' A' ' 19' ' ' PHE . 12.6 mmm180 -107.26 -39.66 5.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.832 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 p -75.29 -38.95 60.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.466 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.6 p -116.38 -34.21 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 p 56.9 39.11 29.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -62.71 156.48 23.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mp -91.11 39.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -130.11 176.95 7.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -107.0 -39.95 5.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 35' ' ' ALA . 4.0 pp -99.6 14.25 30.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -35.03 134.67 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 37' ' ' GLY . 11.3 m -93.17 164.48 13.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -34.82 147.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 23.3 p -114.07 -35.22 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.842 0.353 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.532 ' O ' ' CD1' ' A' ' 15' ' ' TYR . . . -83.34 113.66 20.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.475 ' CG ' HG11 ' A' ' 12' ' ' VAL . 3.7 tt0 -50.53 142.51 10.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -48.59 162.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -115.15 106.25 51.54 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.59 0.709 . . . . 0.0 110.837 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -48.91 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.331 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 45' ' ' LYS . 5.8 t -60.28 -52.24 66.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 44' ' ' THR . 17.7 mmmt -34.29 -47.23 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -163.25 125.23 2.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.45 166.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.6 m -132.91 161.17 34.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -87.01 84.59 7.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 1' ' ' GLY . 28.3 mttp -146.58 157.47 48.06 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.575 0.702 . . . . 0.0 110.931 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -175.48 1.17 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.64 2.227 . . . . 0.0 112.331 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.02 158.46 31.75 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 129.73 18.11 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.728 2.285 . . . . 0.0 112.297 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -175.32 1.12 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.721 2.28 . . . . 0.0 112.361 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.9 p -109.05 151.83 42.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 111.134 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -176.35 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.694 2.262 . . . . 0.0 112.336 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -117.97 -175.35 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.85 177.33 8.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -134.1 -174.99 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 62.33 48.31 4.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.847 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -59.04 152.8 48.78 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.588 0.708 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 63' ' ' LEU . 53.7 Cg_endo -69.78 174.63 9.24 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.634 2.223 . . . . 0.0 112.306 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 64' ' ' TRP . 3.3 pp -34.6 -41.71 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.471 ' N ' HD12 ' A' ' 63' ' ' LEU . 67.0 m95 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m 44.93 42.13 5.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.924 0.392 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 t -38.87 -50.52 1.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.97 68.23 0.96 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.506 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.9 p -51.43 158.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -106.22 42.18 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.35 -112.5 4.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -121.93 92.92 3.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -103.49 96.25 6.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 t 53.28 43.22 31.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.7 mt -135.46 147.66 48.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 9.1 p -87.43 137.35 32.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.63 0.729 . . . . 0.0 111.141 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 12' ' ' VAL . 53.8 Cg_endo -69.76 121.59 8.28 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.705 2.27 . . . . 0.0 112.364 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -107.81 175.3 5.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -150.95 169.52 21.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.556 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 70.8 m-70 -113.68 105.85 54.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.632 0.729 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -6.41 18.55 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.725 2.284 . . . . 0.0 112.35 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -135.8 175.55 9.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.499 ' CD1' ' HE1' ' A' ' 21' ' ' MET . 0.3 OUTLIER -94.17 178.02 5.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 26.7 p90 -115.91 139.02 50.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.499 ' HE1' ' CD1' ' A' ' 19' ' ' PHE . 17.7 mtm -154.25 155.15 34.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.7 t70 63.15 40.4 8.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.86 40.77 95.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -174.14 173.09 3.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.749 0.309 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.556 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 80.8 m95 -91.71 169.13 10.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -104.95 -38.46 6.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -76.94 -43.64 34.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.453 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.6 p -109.71 -32.49 7.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 p 52.17 42.02 30.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -64.09 160.11 18.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.9 mt -93.21 39.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -131.17 170.71 14.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -89.02 -58.89 2.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -99.91 35.66 1.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.89 119.11 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 m -60.84 156.91 16.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.07 147.88 0.13 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.453 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 28.6 p -105.45 -42.15 5.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.55 134.6 39.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -80.85 134.86 35.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 3.1 p90 -43.69 152.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.459 ' HB2' ' CB ' ' A' ' 45' ' ' LYS . 32.0 m-20 -98.82 116.56 65.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.576 0.703 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -51.25 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.334 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.4 p -64.85 -24.04 67.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.124 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.459 ' CB ' ' HB2' ' A' ' 42' ' ' ASP . 11.3 tppt? -64.66 -44.17 91.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -148.73 111.4 4.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.05 135.68 35.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -173.22 130.23 0.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -60.4 -62.5 1.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.471 ' CD ' ' HD2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -78.74 137.67 58.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.585 0.707 . . . . 0.0 110.891 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.471 ' HD2' ' CD ' ' A' ' 50' ' ' LYS . 53.6 Cg_endo -69.82 134.21 27.33 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.47 ' CD2' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -107.16 155.53 39.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.607 0.718 . . . . 0.0 110.872 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 169.33 19.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.362 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 55' ' ' THR . 53.4 Cg_endo -69.72 -171.29 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.264 . . . . 0.0 112.342 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 54' ' ' PRO . 35.2 p -34.27 142.66 0.22 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.606 0.717 . . . . 0.0 111.139 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 172.79 12.0 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.659 2.239 . . . . 0.0 112.323 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.95 37.38 4.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -155.28 -179.41 8.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -61.21 164.74 5.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 61' ' ' ARG . 8.6 tpt180 -79.2 146.56 33.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.453 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.5 OUTLIER -80.54 140.56 51.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.632 0.73 . . . . 0.0 110.852 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 163.68 37.4 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.664 2.242 . . . . 0.0 112.327 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mp -123.65 78.56 1.62 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 99.4 m95 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.918 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -115.2 156.88 24.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.362 . . . . 0.0 110.879 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 p -114.97 173.63 6.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.91 -123.59 1.46 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.448 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 p -156.44 138.47 14.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 110.825 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.4 p -118.04 175.9 5.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.65 119.5 3.72 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.461 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -157.51 119.54 3.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -96.58 83.17 3.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.1 m -128.79 156.85 42.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.5 mt -42.76 118.01 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.1 p -49.22 123.84 13.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.641 0.734 . . . . 0.0 111.181 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.553 ' HG2' ' CD1' ' A' ' 41' ' ' TYR . 53.2 Cg_endo -69.8 118.61 5.78 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.308 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 91.6 mttt -116.01 169.36 9.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -144.65 173.8 11.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -116.14 102.77 53.68 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.566 0.698 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.07 2.96 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.65 2.234 . . . . 0.0 112.364 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -142.01 171.67 13.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -90.97 173.62 7.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.408 ' CD2' ' O ' ' A' ' 20' ' ' TRP . 30.4 p-90 -111.22 126.71 55.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.9 mtm -145.89 149.97 35.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 t0 69.55 51.26 0.48 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.37 37.46 18.57 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.485 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -173.31 177.14 2.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -93.75 169.13 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -106.12 -38.04 6.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.4 p -73.01 -50.73 21.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.7 p -106.95 -31.98 8.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.4 m 59.71 47.37 10.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -79.76 131.62 35.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 mp -82.29 50.49 1.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -124.53 167.15 14.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -75.43 -64.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 mt -107.02 42.18 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.01 119.05 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 37' ' ' GLY . 10.5 m -68.65 153.11 44.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.406 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -37.94 149.89 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 27.1 p -106.59 -39.05 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.79 138.26 41.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -83.48 136.7 34.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.968 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.553 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 46.6 p90 -47.55 159.37 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -110.32 90.33 9.87 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.655 0.74 . . . . 0.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.405 ' HD3' ' CD2' ' A' ' 41' ' ' TYR . 53.6 Cg_endo -69.8 -49.66 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.343 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.7 t -61.01 -30.9 70.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -107.04 44.07 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -81.84 175.64 10.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -110.23 154.85 22.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.2 m -56.05 97.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -84.54 -45.48 12.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.3 tptm -122.93 132.83 24.25 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.605 0.717 . . . . 0.0 110.857 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -178.16 2.22 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.429 HD11 ' C ' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -97.61 159.16 31.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.668 0.747 . . . . 0.0 110.891 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 166.1 28.73 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.24 . . . . 0.0 112.329 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 175.89 7.51 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.2 p -56.97 149.84 42.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.576 0.703 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 86.23 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.268 . . . . 0.0 112.334 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -93.92 122.97 36.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -40.43 101.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -141.59 134.7 29.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -98.64 -47.91 5.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.449 ' N ' ' CD ' ' A' ' 62' ' ' PRO . 15.1 tpp180 59.05 53.53 4.6 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.449 ' CD ' ' N ' ' A' ' 61' ' ' ARG . 53.6 Cg_endo -69.73 159.2 54.3 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.682 2.254 . . . . 0.0 112.355 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.422 ' N ' HD12 ' A' ' 63' ' ' LEU . 4.0 mp -125.73 80.28 1.89 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 6.6 t-105 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.908 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -163.79 115.06 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.887 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -103.17 -45.74 4.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.88 -159.44 21.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.438 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t 62.31 42.66 9.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.869 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -42.55 159.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.7 121.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -130.41 131.15 45.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.81 0.338 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -79.35 162.09 25.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.0 p -55.71 -49.15 73.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 mp -89.6 139.35 30.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.02 132.58 94.65 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.645 0.736 . . . . 0.0 111.122 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.564 ' HG2' ' CD1' ' A' ' 41' ' ' TYR . 53.4 Cg_endo -69.76 113.72 3.47 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.318 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 48.9 mttt -106.81 175.64 5.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.402 ' CD1' ' O ' ' A' ' 39' ' ' ALA . 52.9 p90 -153.04 169.07 23.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.461 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 63.1 m-70 -112.93 100.06 50.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 16' ' ' HIS . 53.9 Cg_endo -69.81 -1.05 7.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.318 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -129.51 -175.59 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -93.53 171.56 8.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.549 ' HB2' ' CZ3' ' A' ' 25' ' ' TRP . 19.3 t90 -124.63 100.19 6.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 23' ' ' GLY . 30.1 mtt -80.27 144.4 32.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' MET . 1.7 m-20 -34.37 -33.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 21' ' ' MET . . . -72.51 -58.15 5.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -174.23 177.83 2.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.549 ' CZ3' ' HB2' ' A' ' 20' ' ' TRP . 84.8 m95 -73.71 159.0 33.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -101.15 -23.23 14.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.824 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.4 p -88.5 -47.25 8.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.7 p -110.2 -26.62 9.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.1 p 49.87 44.99 25.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -70.24 171.82 9.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.9 mt -86.5 -43.21 12.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -57.48 147.2 27.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.481 ' O ' ' CZ2' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -73.96 -56.1 5.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -96.94 34.84 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.92 147.96 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' GLY . 24.4 m -76.54 153.09 35.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -37.29 150.4 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.489 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 30.5 p -108.29 -41.97 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.402 ' O ' ' CD1' ' A' ' 15' ' ' TYR . . . -74.31 123.55 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.112 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -76.1 145.73 39.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.564 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 7.6 p90 -70.17 159.65 33.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 4.5 p-10 -102.86 95.95 7.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.631 0.729 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.517 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 53.2 Cg_endo -69.8 -33.05 17.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.238 . . . . 0.0 112.324 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.2 t -159.72 132.72 6.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -115.58 -46.51 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -82.49 137.36 34.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.91 114.56 0.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.8 t -150.76 106.87 3.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -131.53 136.21 47.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.51 149.47 71.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.723 . . . . 0.0 110.894 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 134.31 27.66 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.685 2.256 . . . . 0.0 112.337 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.9 mt -154.2 143.73 15.19 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.577 0.703 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 136.6 33.53 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.682 2.255 . . . . 0.0 112.393 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 142.64 48.58 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.675 2.25 . . . . 0.0 112.367 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.8 p -132.79 143.55 49.15 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.572 0.701 . . . . 0.0 111.16 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 178.48 4.53 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.681 2.254 . . . . 0.0 112.396 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -115.15 -69.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -169.56 174.28 5.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -170.08 112.47 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.2 ttp85 -173.45 155.41 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -163.14 121.87 1.32 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.586 0.707 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 166.4 27.65 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.663 2.242 . . . . 0.0 112.326 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.447 HD22 ' N ' ' A' ' 63' ' ' LEU . 4.3 mm? -94.89 -58.95 2.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.842 179.916 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -106.98 172.26 6.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -128.43 144.2 51.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.824 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.76 158.85 22.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.455 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -77.29 112.15 13.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.852 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.2 p -118.66 116.55 26.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.69 178.76 3.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -82.0 -59.82 2.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -133.76 163.4 29.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 11' ' ' LEU . 12.8 t -132.05 126.19 33.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 12' ' ' VAL . 5.2 mp -36.76 107.57 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.467 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 12.5 p -35.93 137.09 0.48 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.681 0.753 . . . . 0.0 111.089 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.48 ' HG2' ' CD2' ' A' ' 41' ' ' TYR . 53.8 Cg_endo -69.75 119.21 6.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -110.67 173.51 6.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -148.21 166.96 26.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.715 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 85.8 m-70 -110.86 105.58 57.21 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.583 0.706 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 2.88 3.15 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.355 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -134.88 177.79 7.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.523 ' CE1' ' HE1' ' A' ' 21' ' ' MET . 4.7 p90 -96.45 173.12 7.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.9 p90 -103.94 135.3 45.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.523 ' HE1' ' CE1' ' A' ' 19' ' ' PHE . 5.3 mtt -157.02 156.99 33.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.64 35.98 19.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.37 36.68 93.44 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.463 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 pttp -171.12 -174.96 1.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.743 0.306 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.715 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 82.2 m95 -96.88 164.35 12.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.936 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -103.3 -31.52 10.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -75.59 -46.33 32.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.44 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 p -109.18 -43.26 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m 73.92 45.94 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -81.03 140.57 35.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.403 ' C ' HD11 ' A' ' 31' ' ' LEU . 3.9 pp -59.25 -41.01 87.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -50.8 124.83 11.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -49.74 -60.76 2.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.9 mt -101.2 41.61 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.24 141.97 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.9 m -71.14 152.79 43.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.27 150.24 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.44 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 25.9 p -107.8 -37.17 6.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 110.838 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.16 120.73 26.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -57.28 135.92 56.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.48 ' CD2' ' HG2' ' A' ' 13' ' ' PRO . 10.0 p90 -50.66 174.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -131.87 123.92 19.4 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.575 0.702 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -51.11 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.258 . . . . 0.0 112.343 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.2 p -63.17 -48.5 78.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -41.12 106.01 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -49.25 114.09 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -172.39 138.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -76.48 110.75 11.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.5 100.69 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -46.03 154.25 0.61 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.532 0.682 . . . . 0.0 110.954 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -179.75 3.16 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.677 2.252 . . . . 0.0 112.338 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -101.81 155.72 36.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.613 0.721 . . . . 0.0 110.919 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 143.14 49.96 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 177.4 5.65 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.661 2.24 . . . . 0.0 112.362 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.4 p -117.45 152.77 49.84 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.585 0.707 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 2.84 3.16 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.73 2.287 . . . . 0.0 112.313 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -110.08 93.71 4.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -92.7 -56.96 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 60' ' ' ARG . 3.6 t-20 -133.91 176.85 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 59' ' ' ASN . 25.9 mtm180 -36.14 124.98 0.77 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.49 152.41 71.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.624 0.726 . . . . 0.0 110.844 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -172.66 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.332 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.497 ' C ' ' CD1' ' A' ' 64' ' ' TRP . 1.2 pt? -75.05 60.74 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.497 ' CD1' ' C ' ' A' ' 63' ' ' LEU . 47.0 p-90 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.2 m -102.97 140.77 36.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.83 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.1 m -155.83 151.17 26.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.83 112.31 1.39 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 t -70.19 116.81 10.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -105.33 109.73 21.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.3 141.22 12.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -118.65 98.71 6.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.852 0.358 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -80.62 127.76 32.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.0 m -93.62 91.04 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.4 tp -168.41 147.76 4.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.43 131.59 93.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.669 0.747 . . . . 0.0 111.132 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 104.74 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.256 . . . . 0.0 112.317 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 84.8 mttt -98.18 177.57 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -163.58 170.79 16.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.661 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 63.5 m-70 -114.4 102.12 54.63 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.582 0.705 . . . . 0.0 110.84 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 3.05 2.99 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.261 . . . . 0.0 112.33 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.418 ' CG ' ' HB2' ' A' ' 26' ' ' ARG . 2.0 t-20 -128.98 -179.76 5.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.562 ' CD1' ' HE1' ' A' ' 21' ' ' MET . 2.3 p90 -97.29 141.08 30.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.561 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 29.4 p-90 -89.88 118.18 29.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.562 ' HE1' ' CD1' ' A' ' 19' ' ' PHE . 1.1 mtt -94.27 136.48 34.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -40.02 91.32 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 21' ' ' MET . . . 142.86 -38.12 1.46 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -174.95 175.66 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.785 0.326 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.661 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 73.5 m95 -90.72 178.68 6.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.56 ' HG3' ' CE1' ' A' ' 19' ' ' PHE . 23.1 mmm180 -110.57 -40.27 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 p -71.57 -42.3 67.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.2 p -115.07 -29.37 6.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 p 55.66 39.58 30.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -64.67 153.85 38.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.09 45.91 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -147.4 122.25 9.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -53.21 -58.14 8.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 pp -86.06 26.93 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.3 153.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.086 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 37' ' ' GLY . 3.3 m -94.03 144.23 25.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.1 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -34.27 143.95 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.471 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.462 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 30.1 p -103.52 -45.88 4.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.23 153.47 42.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -109.88 124.82 52.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -46.43 159.48 0.09 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.01 83.0 9.11 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.593 0.711 . . . . 0.0 110.837 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -50.91 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.317 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.3 p -69.17 -43.46 74.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? 50.4 45.56 26.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -155.54 146.97 22.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.98 158.92 34.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.4 p -42.84 108.75 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -113.03 137.18 51.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -70.0 144.18 92.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.543 0.687 . . . . 0.0 110.886 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 134.31 27.62 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.704 2.269 . . . . 0.0 112.307 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -124.2 153.77 68.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 110.911 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.412 ' N ' HD12 ' A' ' 52' ' ' LEU . 54.1 Cg_endo -69.72 110.32 2.52 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.714 2.276 . . . . 0.0 112.328 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 53' ' ' PRO . 53.3 Cg_endo -69.85 -178.46 2.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.69 2.26 . . . . 0.0 112.296 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.2 p -84.42 151.46 59.24 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.562 0.696 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 101.32 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.712 2.274 . . . . 0.0 112.369 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -52.73 -176.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -138.48 151.37 47.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -151.49 139.61 20.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -169.06 141.96 2.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.423 ' O ' ' CD1' ' A' ' 63' ' ' LEU . 6.7 ptp85 -87.2 150.28 49.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 146.23 59.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.336 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 64' ' ' TRP . 6.8 mp -129.34 84.09 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.497 ' C ' ' CD1' ' A' ' 64' ' ' TRP . 1.7 t-105 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 t -161.81 130.44 4.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 0.0 110.895 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 p -95.54 -29.99 14.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.843 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.02 -177.94 3.84 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.475 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 t -150.16 107.48 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -93.38 145.78 24.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.97 82.23 0.26 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -142.32 152.5 43.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.36 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -60.88 97.23 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.1 t -99.35 138.69 36.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.23 153.17 28.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.6 p -79.1 123.4 84.91 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.597 0.713 . . . . 0.0 111.151 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 128.09 15.52 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -116.33 -179.79 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.499 ' CE1' ' HB1' ' A' ' 39' ' ' ALA . 36.9 p90 -157.53 164.01 37.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.781 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 58.4 m-70 -109.0 97.98 27.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.589 0.709 . . . . 0.0 110.873 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 3.39 2.79 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.276 . . . . 0.0 112.327 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -135.32 178.27 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.554 ' CE1' ' HE1' ' A' ' 21' ' ' MET . 2.3 p90 -97.91 178.15 5.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -107.84 140.31 41.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.554 ' HE1' ' CE1' ' A' ' 19' ' ' PHE . 6.5 mmt -139.06 136.72 35.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.6 t70 61.63 28.36 17.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.86 -11.71 55.86 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.47 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -105.8 -178.61 3.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.789 0.328 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.781 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 77.6 m95 -101.03 166.96 10.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' A' ' 26' ' ' ARG . 6.0 mmm180 -107.1 -34.93 7.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -77.01 -39.48 50.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.4 p -116.99 -37.47 3.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m 66.47 51.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -80.38 174.56 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.6 mt -90.77 -57.22 2.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -41.26 140.51 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -65.78 -46.65 77.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -109.86 36.45 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.0 131.66 26.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.4 m -55.23 153.58 6.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -43.59 154.94 0.23 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.543 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.459 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 27.9 p -103.91 -47.12 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.888 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.499 ' HB1' ' CE1' ' A' ' 15' ' ' TYR . . . -69.09 135.74 51.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -88.67 125.97 35.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 43' ' ' PRO . 2.4 p90 -44.08 155.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -104.35 93.25 5.54 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.572 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 53.8 Cg_endo -69.71 -42.25 3.62 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.6 t -56.89 -35.52 69.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -57.35 -54.03 51.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -60.99 -70.08 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.01 178.63 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.9 m -96.39 117.42 30.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.6 tmtp? -112.52 124.71 53.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -56.3 135.26 75.72 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.615 0.721 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 174.54 9.38 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.667 2.245 . . . . 0.0 112.344 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.7 mt -97.32 152.62 38.34 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.732 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 166.09 28.81 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.255 . . . . 0.0 112.324 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 164.59 33.94 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.9 p -89.5 147.87 38.98 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.612 0.72 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -166.31 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.645 2.23 . . . . 0.0 112.346 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -136.03 -178.86 5.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -115.43 168.17 10.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -161.92 175.9 11.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -57.49 -179.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -123.87 120.67 26.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.616 0.722 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -179.74 3.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.322 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.9 mt -105.36 -60.07 1.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 29.0 t90 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.916 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -157.58 150.09 22.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -126.95 -55.09 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.12 -99.53 0.16 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -107.32 174.1 6.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.362 . . . . 0.0 110.873 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.1 p -44.93 123.42 3.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.9 -91.77 0.72 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.462 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -81.91 45.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -48.84 138.53 11.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.6 m -56.78 -48.99 76.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.2 mt -83.41 166.2 18.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -99.45 121.84 53.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.598 0.713 . . . . 0.0 111.145 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 112.05 2.99 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.231 . . . . 0.0 112.337 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -102.58 -177.12 3.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.548 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 33.6 p90 -161.05 169.68 22.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.798 ' CD2' ' CH2' ' A' ' 25' ' ' TRP . 65.8 m-70 -114.16 105.86 53.68 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.708 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -8.24 23.11 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.691 2.261 . . . . 0.0 112.325 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -137.82 171.02 15.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.432 ' CE1' ' CE ' ' A' ' 21' ' ' MET . 0.5 OUTLIER -90.22 177.68 6.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 42.2 p-90 -116.71 145.85 43.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.432 ' CE ' ' CE1' ' A' ' 19' ' ' PHE . 13.9 mtm -152.23 160.32 43.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t70 53.62 45.89 27.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.36 42.69 64.8 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -174.49 146.83 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.758 0.313 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.798 ' CH2' ' CD2' ' A' ' 16' ' ' HIS . 80.3 m95 -67.42 169.91 8.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -107.34 -36.7 6.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 p -79.73 -41.9 25.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 p -112.25 -27.96 8.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.7 p 50.64 47.9 23.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -77.66 152.34 33.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 mp -76.16 -41.81 48.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -43.95 134.09 4.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -51.88 -60.74 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.5 mt -100.51 43.94 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -39.6 116.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 37' ' ' GLY . 4.5 m -62.44 156.12 23.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -37.7 144.77 0.16 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 26.9 p -103.62 -43.81 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.861 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.548 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . . . -69.35 154.58 41.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -107.29 139.82 41.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -48.11 175.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.439 ' HB2' ' CB ' ' A' ' 45' ' ' LYS . 2.0 m-20 -142.1 121.69 8.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.595 0.712 . . . . 0.0 110.818 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -8.21 23.02 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.703 2.268 . . . . 0.0 112.351 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.465 HG21 ' N ' ' A' ' 45' ' ' LYS . 8.9 t -111.33 -44.98 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.465 ' N ' HG21 ' A' ' 44' ' ' THR . 5.2 tmtt? -55.41 94.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 42.02 41.41 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.2 93.47 3.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.071 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.3 t -125.58 78.76 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? -170.61 107.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -149.93 157.62 37.74 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.611 0.719 . . . . 0.0 110.888 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 -177.89 2.08 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -49.93 142.7 12.83 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.592 0.71 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 124.31 10.98 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.344 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 173.81 10.45 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.7 p -114.39 150.49 43.88 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.59 0.709 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 121.82 8.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -49.32 155.69 0.68 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -102.13 179.19 4.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -40.67 131.54 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 61' ' ' ARG . 28.0 ttt85 -107.11 163.2 13.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 60' ' ' ARG . 30.5 mmm-85 -36.82 155.83 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.621 0.724 . . . . 0.0 110.87 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 143.65 51.55 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.725 2.283 . . . . 0.0 112.334 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 64' ' ' TRP . 2.6 mm? -96.48 -41.85 8.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.428 ' C ' ' O ' ' A' ' 63' ' ' LEU . 59.3 t90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -94.12 -48.43 6.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.921 0.391 . . . . 0.0 110.899 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.3 t -72.91 95.9 2.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.69 155.46 20.12 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -161.13 134.74 6.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.1 p -169.33 119.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.882 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.51 55.97 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -58.14 128.64 38.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -119.23 -51.13 2.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.4 m -133.61 161.63 34.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.463 ' N ' HD21 ' A' ' 11' ' ' LEU . 4.0 mm? -66.5 176.15 2.0 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.467 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 9.4 p -52.1 137.35 37.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 111.104 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 12' ' ' VAL . 53.8 Cg_endo -69.82 102.44 1.04 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 77.2 mttt -101.56 178.73 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -158.4 168.62 26.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.686 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 74.8 m-70 -111.75 100.61 48.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.595 0.712 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 3.07 3.0 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.629 2.219 . . . . 0.0 112.379 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.409 ' CG ' ' HB2' ' A' ' 26' ' ' ARG . 4.2 t-20 -136.67 168.7 19.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.429 ' CE1' ' HE2' ' A' ' 21' ' ' MET . 1.2 p90 -88.77 -177.35 5.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.408 ' C ' ' HG2' ' A' ' 21' ' ' MET . 5.8 t90 -111.45 129.56 55.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.429 ' HE2' ' CE1' ' A' ' 19' ' ' PHE . 2.0 mmt -141.35 171.74 13.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 21' ' ' MET . 6.7 m-20 37.95 47.55 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.66 41.2 42.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.488 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.9 pttm -172.47 159.12 4.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.781 0.324 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.686 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 77.7 m95 -69.43 167.89 15.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.975 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.409 ' HB2' ' CG ' ' A' ' 18' ' ' ASN . 16.4 mmm180 -109.53 -31.78 7.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.4 p -81.76 -42.22 20.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.1 p -112.22 -30.55 7.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.8 m 58.36 43.88 19.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -66.36 -178.46 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.404 ' C ' HD11 ' A' ' 31' ' ' LEU . 3.8 pp -116.15 19.16 15.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -116.59 134.95 54.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.52 -50.22 65.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 pp -104.7 30.89 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -37.06 129.27 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 m -65.34 150.13 48.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.19 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.421 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -41.35 149.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.456 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.461 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 28.7 p -108.75 -34.77 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 0.0 110.884 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.23 123.25 27.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.048 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -82.17 144.96 30.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -56.25 149.37 16.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -109.66 115.41 55.75 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.718 . . . . 0.0 110.894 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -35.45 12.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.685 2.257 . . . . 0.0 112.358 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.5 t -154.57 131.0 10.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.79 -42.98 3.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -52.09 135.29 31.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.08 132.46 19.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.6 t -122.37 166.72 14.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -101.82 96.8 7.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.44 163.67 24.1 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.584 0.707 . . . . 0.0 110.881 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 52' ' ' LEU . 53.6 Cg_endo -69.75 171.48 14.37 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.682 2.255 . . . . 0.0 112.375 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' PRO . 13.0 mt -34.82 144.01 0.21 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 163.01 39.9 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.64 2.226 . . . . 0.0 112.371 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -173.38 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.718 2.278 . . . . 0.0 112.315 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.1 p -76.29 151.46 83.46 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.62 0.724 . . . . 0.0 111.111 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -171.38 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.669 2.246 . . . . 0.0 112.368 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -87.51 151.51 22.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -120.03 122.25 40.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -150.55 149.08 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.8 ttp85 -142.26 128.48 19.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 61' ' ' ARG . 6.9 ttm105 -132.8 138.26 31.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.617 0.722 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 169.3 19.28 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -101.89 55.54 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 179.883 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -83.56 143.43 30.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.845 0.355 . . . . 0.0 110.858 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.7 m -107.71 -62.07 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.33 -168.86 26.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.4 t -122.15 -45.19 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 0.0 110.903 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -41.27 157.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.57 -162.66 11.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -157.86 144.17 17.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -78.39 167.75 20.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.3 t -98.82 -51.4 3.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.448 ' HG ' ' N ' ' A' ' 12' ' ' VAL . 9.9 tp -102.62 155.8 18.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.448 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 5.4 p -69.79 132.96 88.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.637 0.732 . . . . 0.0 111.12 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 106.2 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.266 . . . . 0.0 112.375 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HE2' ' CD ' ' A' ' 40' ' ' GLN . 95.9 mttt -101.12 175.49 5.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -155.42 172.46 18.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -116.65 102.67 53.16 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.592 0.711 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -6.57 18.94 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.747 2.298 . . . . 0.0 112.322 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -135.55 175.34 9.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -115.45 160.21 20.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.457 ' O ' ' CG ' ' A' ' 20' ' ' TRP . 15.4 p-90 -91.06 118.5 30.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.11 -63.6 1.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.7 64.7 0.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.49 24.28 1.04 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.9 pttt -166.84 171.5 11.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -74.27 154.75 38.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -101.92 -25.38 13.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -86.93 -45.15 11.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.7 p -108.95 -32.94 7.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.8 p 57.2 48.05 15.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -81.04 128.98 34.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -44.21 -32.62 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -59.51 174.22 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.407 ' NZ ' ' CZ2' ' A' ' 20' ' ' TRP . 6.0 tmtm? -102.95 -52.82 2.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -106.68 35.79 2.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.46 145.82 1.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 37' ' ' GLY . 3.4 m -72.52 149.39 44.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -33.9 142.29 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.475 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.459 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 26.5 p -101.38 -47.79 4.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.856 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.64 138.75 56.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.411 ' CD ' ' HE2' ' A' ' 14' ' ' LYS . 5.5 mp0 -89.71 147.11 24.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.564 ' CD2' ' HD3' ' A' ' 43' ' ' PRO . 39.5 p90 -50.6 167.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.67 97.24 30.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.627 0.727 . . . . 0.0 110.863 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.564 ' HD3' ' CD2' ' A' ' 41' ' ' TYR . 53.9 Cg_endo -69.73 -49.84 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.678 2.252 . . . . 0.0 112.369 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.2 p -65.12 -36.2 83.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -87.06 51.01 2.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.854 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -138.73 162.0 35.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.81 -40.72 9.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.7 t -62.29 -55.39 28.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -77.65 140.56 39.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.964 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.428 ' N ' ' HD2' ' A' ' 49' ' ' LYS . 30.6 tptt -123.45 136.01 26.7 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.406 ' HD2' ' CD ' ' A' ' 50' ' ' LYS . 53.9 Cg_endo -69.72 178.85 4.13 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.691 2.261 . . . . 0.0 112.375 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.471 ' CD1' ' HD2' ' A' ' 53' ' ' PRO . 1.2 tp -111.26 132.01 21.96 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.622 0.725 . . . . 0.0 110.938 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.471 ' HD2' ' CD1' ' A' ' 52' ' ' LEU . 53.5 Cg_endo -69.79 112.04 2.98 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.639 2.226 . . . . 0.0 112.358 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -172.32 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.677 2.251 . . . . 0.0 112.312 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.9 p -39.43 153.07 0.19 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.629 0.728 . . . . 0.0 111.115 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 126.93 13.87 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.35 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -115.85 83.95 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -104.64 -47.48 4.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -106.64 162.87 13.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -116.37 152.39 34.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -138.85 142.11 32.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.554 0.692 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -173.19 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.722 2.282 . . . . 0.0 112.303 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.46 HD13 ' N ' ' A' ' 64' ' ' TRP . 4.3 pp -96.5 -41.27 8.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.46 ' N ' HD13 ' A' ' 63' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -161.26 154.45 21.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.896 0.379 . . . . 0.0 110.807 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -122.22 -62.04 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.867 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.06 155.45 26.83 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t -174.79 118.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 110.874 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.9 m -60.2 109.22 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.31 -62.11 0.54 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -66.78 175.85 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -149.53 151.84 34.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.5 t -73.61 -54.58 7.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -132.1 162.97 29.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.957 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.408 ' CG2' ' HG2' ' A' ' 40' ' ' GLN . 2.5 p -39.28 130.97 1.28 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.676 0.751 . . . . 0.0 111.112 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.62 16.29 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.673 2.249 . . . . 0.0 112.362 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 97.6 mttt -116.85 178.95 4.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -157.41 170.53 22.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.459 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 67.8 m-70 -111.72 100.87 49.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.62 0.724 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 16' ' ' HIS . 54.1 Cg_endo -69.79 1.8 4.13 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.665 2.244 . . . . 0.0 112.35 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -131.32 -174.25 3.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -101.49 160.25 14.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -100.33 112.13 24.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 23' ' ' GLY . 6.0 mmt -87.95 139.29 30.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -44.19 88.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.84 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 21' ' ' MET . . . 143.15 -38.23 1.42 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.522 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' A' ' 29' ' ' SER . 18.8 pttt -175.86 175.32 2.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.736 0.303 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.459 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 75.7 m95 -84.96 171.5 12.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -106.39 -25.53 11.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 p -86.14 -48.28 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 p -107.03 -31.07 8.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.416 ' HB3' ' NZ ' ' A' ' 24' ' ' LYS . 50.1 m 62.35 49.0 4.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -88.19 150.92 23.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.4 mt -76.13 -46.4 28.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -38.91 118.3 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -48.86 -55.65 11.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.8 mt -100.57 45.92 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.15 152.91 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 37' ' ' GLY . 2.7 m -94.47 148.67 22.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -33.81 136.66 0.22 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 19.8 p -94.71 -43.08 8.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.839 0.352 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.3 141.46 34.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.068 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.408 ' HG2' ' CG2' ' A' ' 12' ' ' VAL . 52.4 mt-30 -88.31 148.8 24.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -47.52 172.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -103.6 94.6 6.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.628 0.727 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -46.26 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.466 HG23 ' N ' ' A' ' 45' ' ' LYS . 9.7 t -64.04 -43.54 95.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.466 ' N ' HG23 ' A' ' 44' ' ' THR . 18.9 mmmt -94.71 122.47 37.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -82.5 110.86 17.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.88 -61.13 1.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.8 p -76.21 165.0 25.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -109.79 80.77 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.473 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 26.4 ttmt -169.77 139.5 1.64 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.542 0.687 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 50' ' ' LYS . 53.6 Cg_endo -69.76 175.15 8.49 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.699 2.266 . . . . 0.0 112.322 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.58 159.41 31.84 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.605 0.717 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 165.57 30.59 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.304 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 165.62 30.3 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.659 2.239 . . . . 0.0 112.371 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.3 p -45.47 143.03 3.01 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.585 0.707 . . . . 0.0 111.12 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 2.79 3.19 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.714 2.276 . . . . 0.0 112.343 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -169.21 156.58 7.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -71.89 159.89 33.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -54.86 139.46 39.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.7 mtt-85 -114.74 164.65 13.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -54.28 110.85 2.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.625 0.726 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 168.28 22.07 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.275 . . . . 0.0 112.314 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.6 mt -120.42 76.18 1.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 34.9 t-105 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.896 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.1 p -153.59 166.59 32.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -126.96 164.8 20.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.76 -161.67 26.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -161.11 164.66 30.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.863 0.364 . . . . 0.0 110.837 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 t -135.4 166.47 23.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.36 44.87 2.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.508 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -79.15 153.89 29.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -103.67 111.47 23.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 89.3 p -159.92 145.4 15.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -43.23 138.16 2.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -59.74 132.18 88.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 111.08 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 96.9 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 40' ' ' GLN . 2.0 mtmp? -91.26 -175.49 4.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.417 ' CD1' ' O ' ' A' ' 39' ' ' ALA . 29.3 p90 -155.92 169.16 25.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.469 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 73.5 m-70 -111.19 97.36 34.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.611 0.719 . . . . 0.0 110.856 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 3.24 2.89 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -133.02 -177.33 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -95.6 163.66 13.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.553 ' CZ3' ' HA ' ' A' ' 24' ' ' LYS . 1.7 t-105 -111.92 102.52 10.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.464 ' O ' ' N ' ' A' ' 23' ' ' GLY . 25.7 mmt -77.8 145.76 36.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 21' ' ' MET . 6.3 p-10 -36.28 -31.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 21' ' ' MET . . . -76.15 -57.34 4.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.553 ' HA ' ' CZ3' ' A' ' 20' ' ' TRP . 20.5 pttm -174.64 176.06 2.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.469 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 86.0 m95 -66.48 160.88 24.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -105.41 -24.32 12.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -86.22 -43.52 12.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.467 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.0 p -114.6 -25.05 8.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.453 ' HB2' ' CE ' ' A' ' 24' ' ' LYS . 26.1 p 48.27 43.88 19.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.809 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -61.89 -177.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 pp -114.32 24.05 12.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -113.76 169.28 9.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -79.85 -59.89 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.4 mt -114.5 39.2 2.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -39.63 146.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.07 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.445 HG22 ' N ' ' A' ' 37' ' ' GLY . 8.6 m -76.01 156.43 34.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.445 ' N ' HG22 ' A' ' 36' ' ' THR . . . -37.49 148.54 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 19.9 p -105.82 -43.87 4.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.422 ' C ' ' HG2' ' A' ' 14' ' ' LYS . . . -72.22 110.74 6.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.468 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 21.5 mt-30 -73.84 137.36 43.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -60.97 177.6 0.31 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -138.1 116.85 9.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -50.45 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.32 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 45' ' ' LYS . 7.2 t -80.37 -36.66 33.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' THR . 10.7 tmtt? 37.27 47.97 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -171.89 148.02 2.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 52.3 36.2 19.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.5 t -86.62 -54.04 4.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.832 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.3 tmmm? -54.5 -55.39 29.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -79.25 134.3 59.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.533 0.683 . . . . 0.0 110.936 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -179.29 2.82 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.35 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.1 mt -87.73 152.25 51.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.721 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 165.11 32.07 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 164.94 32.66 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.28 . . . . 0.0 112.336 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.3 p -106.42 147.26 34.6 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.526 0.679 . . . . 0.0 111.173 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 114.04 3.57 Favored 'Trans proline' 0 C--N 1.34 0.132 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -39.57 -50.24 2.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -41.16 -59.86 1.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -65.19 81.79 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -151.32 129.63 12.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -146.17 121.78 5.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.574 0.702 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.544 ' HB2' ' CD1' ' A' ' 64' ' ' TRP . 53.8 Cg_endo -69.72 -171.34 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.68 2.253 . . . . 0.0 112.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.7 mt -131.51 -52.48 1.01 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.544 ' CD1' ' HB2' ' A' ' 62' ' ' PRO . 72.9 m95 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 t -92.45 139.01 31.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 110.885 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 p -124.16 -14.53 7.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.84 164.32 1.38 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -98.82 89.36 4.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.2 m -101.58 89.74 3.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.16 -161.61 47.38 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -90.13 51.9 2.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -133.22 40.87 3.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 t -132.99 125.03 28.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.447 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -86.48 142.97 27.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 p -81.19 126.57 76.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.619 0.723 . . . . 0.0 111.13 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 41' ' ' TYR . 53.8 Cg_endo -69.8 121.59 8.27 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -112.54 177.69 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 39' ' ' ALA . 30.3 p90 -151.59 169.81 21.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -116.58 107.17 47.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.575 0.703 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -7.63 21.55 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -129.7 -174.91 3.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CE2' ' O ' ' A' ' 20' ' ' TRP . 61.2 t80 -123.43 160.99 25.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.597 ' O ' ' CE3' ' A' ' 20' ' ' TRP . 1.1 t90 -90.93 119.65 31.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 48.8 mtm -127.59 -70.64 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 24' ' ' LYS . 10.2 t70 -68.34 70.26 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.836 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 38.87 26.78 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 22' ' ' ASP . 4.4 pttm -171.46 166.73 6.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.735 0.303 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -76.53 153.31 35.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -101.11 -13.37 18.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.6 p -94.87 -35.62 11.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.9 p -121.59 -38.41 2.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 m 73.41 34.02 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -75.36 143.29 42.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.3 mt -68.42 -43.38 77.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -45.38 132.74 7.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -70.87 -45.1 65.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mp -102.21 40.08 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.59 164.22 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 37' ' ' GLY . 20.3 m -106.19 165.53 11.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -37.27 152.91 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 25.4 p -119.24 -34.98 3.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.869 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.596 ' O ' ' CD1' ' A' ' 15' ' ' TYR . . . -87.58 115.5 25.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -53.46 130.29 35.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.479 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -66.67 -175.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.828 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -104.59 92.6 5.11 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.56 0.695 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -4.42 14.02 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.658 2.239 . . . . 0.0 112.388 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.5 t -159.03 126.97 5.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -159.21 145.47 16.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -91.98 55.63 2.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -173.96 136.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.3 t 52.8 52.91 13.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.823 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -97.48 106.58 18.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -41.39 159.54 0.17 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.573 0.702 . . . . 0.0 110.899 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 150.15 68.03 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.715 2.277 . . . . 0.0 112.336 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.435 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.3 pt? -151.15 154.79 34.4 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.589 0.709 . . . . 0.0 110.947 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 168.09 22.61 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.664 2.243 . . . . 0.0 112.326 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 142.58 48.06 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.634 2.223 . . . . 0.0 112.357 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -131.47 148.26 69.38 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.562 0.696 . . . . 0.0 111.146 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 99.27 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.653 2.235 . . . . 0.0 112.355 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.409 ' C ' ' OD1' ' A' ' 58' ' ' ASP . 25.3 mt-10 -80.87 129.48 34.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 57' ' ' GLU . 1.5 p-10 38.28 51.81 1.6 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -98.37 39.13 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.9 mtm105 -79.75 108.03 12.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.8 153.02 64.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 154.87 67.24 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mp -101.38 52.08 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.947 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 90.6 t90 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.907 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 13' ' ' PRO . 4.8 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.605 0.717 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 12' ' ' VAL . 53.5 Cg_endo -69.74 98.71 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.722 2.282 . . . . 0.0 112.373 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 37.8 mttt -96.16 176.3 6.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -152.0 166.1 32.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -106.65 96.72 14.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.603 0.716 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 3.19 2.91 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -133.0 178.96 6.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -98.87 171.02 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.422 ' CD1' ' C ' ' A' ' 20' ' ' TRP . 1.2 t90 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.1 pttm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.751 0.31 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -65.52 173.02 2.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -109.6 -33.12 6.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.5 p -79.57 -40.02 30.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 p -115.99 -31.84 5.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 m 62.83 45.42 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.43 ' CD ' ' HB1' ' A' ' 35' ' ' ALA . 32.4 mt-30 -71.48 179.47 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.61 27.32 7.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -122.71 139.62 53.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -65.71 -40.32 92.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.8 mt -102.12 25.39 8.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.43 ' HB1' ' CD ' ' A' ' 30' ' ' GLN . . . -42.2 128.21 3.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 37' ' ' GLY . 2.0 m -78.94 147.68 32.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -34.03 147.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.459 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 19.9 p -105.37 -38.81 6.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 0.0 110.847 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.41 120.28 24.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -65.71 144.41 56.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 28.8 p90 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.98 -179.894 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.675 HG13 ' HD2' ' A' ' 13' ' ' PRO . 95.8 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.652 0.739 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.675 ' HD2' HG13 ' A' ' 12' ' ' VAL . 53.6 Cg_endo -69.78 93.9 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.324 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HE2' ' CG ' ' A' ' 40' ' ' GLN . 70.9 mttt -95.24 164.58 12.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.428 ' CD1' ' O ' ' A' ' 39' ' ' ALA . 35.6 p90 -147.03 173.63 12.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -111.41 96.16 30.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 1.57 4.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.354 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -127.94 -174.82 3.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -96.84 165.45 12.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.555 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 16.6 p90 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.1 pttm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.78 0.324 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.555 ' CZ2' ' HB3' ' A' ' 20' ' ' TRP . 71.4 m95 -97.0 166.42 11.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.1 mmm-85 -107.78 -13.75 14.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 p -97.47 -37.4 10.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.6 p -124.85 -26.42 3.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.2 t 56.85 53.28 8.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -83.8 160.62 21.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.08 -36.61 61.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.67 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 55.8 mm-40 -64.73 162.07 16.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -88.51 -50.59 6.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.961 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mp -103.55 26.98 7.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.67 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -41.27 144.91 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 m -62.95 153.98 31.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.442 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -40.55 162.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.462 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 29.0 p -121.51 -33.18 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.428 ' O ' ' CD1' ' A' ' 15' ' ' TYR . . . -84.23 113.24 20.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.467 ' CG ' ' HE2' ' A' ' 14' ' ' LYS . 46.5 mt-30 -64.98 146.53 54.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.8 p90 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 -179.879 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.741 HG23 ' CE2' ' A' ' 41' ' ' TYR . 10.7 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.649 0.737 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 102.96 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.624 2.216 . . . . 0.0 112.389 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -82.72 173.63 11.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -151.31 175.53 12.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.417 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 88.9 m-70 -114.77 100.46 53.41 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.564 0.697 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 2.58 3.4 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -132.86 -175.91 3.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -91.35 171.87 8.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.564 ' HB3' ' CE3' ' A' ' 25' ' ' TRP . 14.6 p-90 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 pttm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.762 0.315 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.564 ' CE3' ' HB3' ' A' ' 20' ' ' TRP . 84.4 m95 -71.59 168.23 18.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -108.88 -30.96 7.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 p -79.67 -46.47 17.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.6 p -109.08 -31.58 7.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 m 60.97 44.74 10.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -73.63 145.77 45.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.813 ' O ' HD12 ' A' ' 31' ' ' LEU . 4.1 pp -81.73 41.58 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -137.77 145.96 43.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.4 ' HB3' HD12 ' A' ' 34' ' ' LEU . 5.8 ttpm? -70.62 -54.13 13.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' A' ' 33' ' ' LYS . 4.4 mp -98.23 39.25 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.454 ' HB3' ' NE1' ' A' ' 25' ' ' TRP . . . -48.65 143.01 5.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.9 m -81.76 151.66 27.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.17 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -38.79 145.47 0.2 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.462 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 25.6 p -108.51 -41.98 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.372 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.49 157.76 37.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -106.04 124.12 49.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.741 ' CE2' HG23 ' A' ' 12' ' ' VAL . 2.3 p90 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.501 HG23 ' HD2' ' A' ' 13' ' ' PRO . 14.2 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.653 0.74 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.501 ' HD2' HG23 ' A' ' 12' ' ' VAL . 53.5 Cg_endo -69.86 110.12 2.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.668 2.246 . . . . 0.0 112.286 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 84.0 mttt -103.86 176.91 5.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -161.28 168.12 24.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 80.3 m-70 -113.25 104.61 55.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.569 0.699 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 16' ' ' HIS . 53.3 Cg_endo -69.82 -5.14 15.54 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -131.9 -176.39 4.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' A' ' 20' ' ' TRP . 78.5 t80 -98.38 168.36 10.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.517 ' HB2' ' CD2' ' A' ' 25' ' ' TRP . 3.6 t90 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.8 pttm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.706 0.289 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.517 ' CD2' ' HB2' ' A' ' 20' ' ' TRP . 76.0 m95 -69.67 162.08 28.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -107.76 -19.46 13.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 p -93.17 -42.9 9.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.5 p -117.92 -17.25 9.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.2 p 40.61 45.29 1.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -64.72 174.26 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.716 ' O ' HD12 ' A' ' 31' ' ' LEU . 4.0 pp -110.26 41.91 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -128.67 175.16 8.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -93.8 -46.96 6.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.453 ' H ' HD23 ' A' ' 34' ' ' LEU . 1.2 pt? -110.56 33.41 4.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -37.85 129.87 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 37' ' ' GLY . 5.0 m -77.62 154.78 31.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.184 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.443 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -36.94 140.95 0.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.469 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 25.7 p -102.75 -39.43 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.24 134.36 44.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -92.38 147.88 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.425 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 6.6 p90 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.552 HG13 ' HD2' ' A' ' 13' ' ' PRO . 90.2 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.617 0.722 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 41' ' ' TYR . 53.4 Cg_endo -69.74 95.54 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.659 2.239 . . . . 0.0 112.332 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 37.0 mttt -96.85 172.7 7.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.452 ' N ' ' HA3' ' A' ' 37' ' ' GLY . 43.0 p90 -152.34 169.7 21.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -110.06 97.97 32.48 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 1.58 4.26 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -133.61 179.54 6.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -101.91 170.17 8.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.1 t90 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.1 pttt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.734 0.302 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -92.17 167.25 12.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.2 mmt85 -106.05 -31.69 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -81.74 -44.43 17.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.467 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 4.6 p -116.22 -21.84 9.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.6 p 47.61 52.96 11.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -83.33 155.1 23.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.8 mt -61.94 -48.56 79.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.654 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 92.8 mt-10 -50.87 129.31 23.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -57.76 -50.73 72.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.7 mt -109.16 39.31 2.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.654 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -42.58 157.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 37' ' ' GLY . 7.3 m -82.9 153.89 24.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.178 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -34.21 144.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.516 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 24.3 p -107.6 -38.4 5.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.56 118.69 19.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.062 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -69.11 141.73 54.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.582 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 21.8 p90 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.549 HG13 ' HD2' ' A' ' 13' ' ' PRO . 41.5 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.618 0.723 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.549 ' HD2' HG13 ' A' ' 12' ' ' VAL . 53.8 Cg_endo -69.78 95.66 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.631 2.221 . . . . 0.0 112.314 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 76.8 mttt -94.88 167.99 11.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -147.89 168.48 22.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.562 ' ND1' ' CZ2' ' A' ' 25' ' ' TRP . 32.4 m80 -109.51 99.75 38.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.6 0.714 . . . . 0.0 110.841 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 16' ' ' HIS . 53.9 Cg_endo -69.75 3.08 2.97 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.728 2.286 . . . . 0.0 112.343 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -135.99 -179.13 5.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -101.98 -177.91 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.578 ' O ' ' CE3' ' A' ' 20' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.488 ' N ' ' NE1' ' A' ' 20' ' ' TRP . 13.5 pttt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.715 0.293 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.562 ' CZ2' ' ND1' ' A' ' 16' ' ' HIS . 75.0 m95 -73.42 163.53 27.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.934 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -106.87 -27.65 10.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 p -85.21 -40.71 16.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 p -115.82 -29.54 6.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.4 p 57.9 42.95 22.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -73.49 132.79 43.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.575 HD23 ' H ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -47.52 -34.82 8.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.717 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 5.7 mm-40 -66.36 151.48 47.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.9 pttm -90.4 -34.03 15.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.5 mt -110.34 28.8 8.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.717 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -53.74 146.78 12.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.065 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 37' ' ' GLY . 3.0 m -75.95 148.26 38.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -33.57 145.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 21.5 p -99.75 -41.9 7.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.73 126.42 29.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 41' ' ' TYR . 5.4 mt-30 -78.14 133.38 37.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 40' ' ' GLN . 1.6 p90 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.739 HG11 ' OE1' ' A' ' 40' ' ' GLN . 5.3 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.637 0.732 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.548 ' HD2' HG23 ' A' ' 12' ' ' VAL . 53.8 Cg_endo -69.75 103.82 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.647 2.231 . . . . 0.0 112.358 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 38.5 mttt -86.29 175.19 8.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -152.31 172.45 16.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 39.1 m80 -111.51 105.45 56.77 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.613 0.721 . . . . 0.0 110.83 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 16' ' ' HIS . 53.9 Cg_endo -69.74 -2.8 10.77 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.72 2.28 . . . . 0.0 112.3 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -133.11 179.31 6.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -91.9 173.29 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.522 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 19.3 t90 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.4 pttt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.522 ' CE2' ' HB2' ' A' ' 20' ' ' TRP . 91.1 m95 -75.28 148.41 39.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -95.02 -24.74 16.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.7 p -85.33 -47.73 9.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.466 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 3.5 p -115.1 -26.12 7.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.442 ' N ' ' HB2' ' A' ' 25' ' ' TRP . 8.5 p 48.0 47.58 18.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -74.1 134.7 42.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 32' ' ' GLU . 4.0 pp -53.97 -40.39 66.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.489 ' N ' HD12 ' A' ' 31' ' ' LEU . 32.0 mt-10 -56.49 141.35 42.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -71.25 -56.24 6.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.688 ' H ' HD23 ' A' ' 34' ' ' LEU . 1.3 pt? -87.95 29.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -37.76 145.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 37' ' ' GLY . 2.3 m -91.86 153.76 19.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -35.25 137.47 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 12.9 p -97.64 -42.06 7.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.53 137.03 36.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.739 ' OE1' HG11 ' A' ' 12' ' ' VAL . 36.0 mt-30 -83.98 124.93 31.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 13' ' ' PRO . 15.3 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.604 0.716 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 12' ' ' VAL . 53.9 Cg_endo -69.76 96.86 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.365 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' C ' ' HA3' ' A' ' 37' ' ' GLY . 52.0 mttt -95.76 171.12 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' A' ' 39' ' ' ALA . 22.4 p90 -143.17 170.79 15.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -112.42 95.81 33.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.585 0.707 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 3.17 2.91 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.354 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -141.88 157.69 44.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.435 ' CE1' ' HG3' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -80.82 177.26 9.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.48 ' HB3' ' CE3' ' A' ' 25' ' ' TRP . 8.6 p90 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 pttt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.48 ' CE3' ' HB3' ' A' ' 20' ' ' TRP . 79.0 m95 -90.24 172.01 9.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.435 ' HG3' ' CE1' ' A' ' 19' ' ' PHE . 12.6 mmm180 -107.26 -39.66 5.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.832 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 p -75.29 -38.95 60.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.6 p -116.38 -34.21 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 p 56.9 39.11 29.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -62.71 156.48 23.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.499 HD12 ' N ' ' A' ' 31' ' ' LEU . 3.9 mp -91.11 39.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -130.11 176.95 7.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -107.0 -39.95 5.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 35' ' ' ALA . 4.0 pp -99.6 14.25 30.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -35.03 134.67 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.536 HG22 ' N ' ' A' ' 37' ' ' GLY . 11.3 m -93.17 164.48 13.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.536 ' N ' HG22 ' A' ' 36' ' ' THR . . . -34.82 147.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.469 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 23.3 p -114.07 -35.22 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.842 0.353 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.532 ' O ' ' CD1' ' A' ' 15' ' ' TYR . . . -83.34 113.66 20.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.414 ' CG ' HG11 ' A' ' 12' ' ' VAL . 3.7 tt0 -50.53 142.51 10.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 33.7 p90 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.909 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.563 HG23 ' HD2' ' A' ' 13' ' ' PRO . 9.1 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.63 0.729 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.563 ' HD2' HG23 ' A' ' 12' ' ' VAL . 53.8 Cg_endo -69.76 121.59 8.28 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.705 2.27 . . . . 0.0 112.364 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 77.0 mttt -107.81 175.3 5.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -150.95 169.52 21.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.556 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 70.8 m-70 -113.68 105.85 54.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.632 0.729 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -6.41 18.55 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.725 2.284 . . . . 0.0 112.35 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -135.8 175.55 9.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.17 178.02 5.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 26.7 p90 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.935 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.4 pttm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.749 0.309 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.556 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 80.8 m95 -91.71 169.13 10.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -104.95 -38.46 6.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -76.94 -43.64 34.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.453 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.6 p -109.71 -32.49 7.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 p 52.17 42.02 30.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -64.09 160.11 18.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.9 mt -93.21 39.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.471 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 32.0 mt-10 -131.17 170.71 14.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 5.8 mptt -89.02 -58.89 2.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.68 ' H ' HD23 ' A' ' 34' ' ' LEU . 1.8 pt? -99.91 35.66 1.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -45.89 119.11 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 m -60.84 156.91 16.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.403 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -39.07 147.88 0.13 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.453 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 28.6 p -105.45 -42.15 5.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.55 134.6 39.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -80.85 134.86 35.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.478 ' C ' ' CD1' ' A' ' 41' ' ' TYR . 3.1 p90 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.457 HG23 ' HE1' ' A' ' 41' ' ' TYR . 11.1 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.641 0.734 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 41' ' ' TYR . 53.2 Cg_endo -69.8 118.61 5.78 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.308 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 91.6 mttt -116.01 169.36 9.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -144.65 173.8 11.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -116.14 102.77 53.68 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.566 0.698 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.07 2.96 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.65 2.234 . . . . 0.0 112.364 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -142.01 171.67 13.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -90.97 173.62 7.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.408 ' CD2' ' O ' ' A' ' 20' ' ' TRP . 30.4 p-90 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.4 pttm . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.818 0.342 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -93.75 169.13 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -106.12 -38.04 6.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.4 p -73.01 -50.73 21.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.7 p -106.95 -31.98 8.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.4 m 59.71 47.37 10.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -79.76 131.62 35.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 mp -82.29 50.49 1.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.463 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 43.7 mt-10 -124.53 167.15 14.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -75.43 -64.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 mt -107.02 42.18 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.463 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -40.01 119.05 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 37' ' ' GLY . 10.5 m -68.65 153.11 44.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.426 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -37.94 149.89 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 27.1 p -106.59 -39.05 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.79 138.26 41.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -83.48 136.7 34.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.968 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.563 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 46.6 p90 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.645 0.736 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.576 ' HG2' ' CD1' ' A' ' 41' ' ' TYR . 53.4 Cg_endo -69.76 113.72 3.47 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.318 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 48.9 mttt -106.81 175.64 5.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.402 ' CD1' ' O ' ' A' ' 39' ' ' ALA . 52.9 p90 -153.04 169.07 23.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 28.5 m80 -112.93 100.06 50.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 16' ' ' HIS . 53.9 Cg_endo -69.81 -1.05 7.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.318 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -129.51 -175.59 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -93.53 171.56 8.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 25' ' ' TRP . 19.3 t90 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.3 pttt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.769 0.319 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 20' ' ' TRP . 84.8 m95 -73.71 159.0 33.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -101.15 -23.23 14.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.824 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.4 p -88.5 -47.25 8.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.466 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.7 p -110.2 -26.62 9.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.1 p 49.87 44.99 25.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -70.24 171.82 9.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.9 mt -86.5 -43.21 12.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.569 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 75.4 mm-40 -57.48 147.2 27.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.481 ' O ' ' CZ2' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -73.96 -56.1 5.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.705 ' H ' HD23 ' A' ' 34' ' ' LEU . 1.6 pt? -96.94 34.84 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.569 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -47.92 147.96 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' GLY . 24.4 m -76.54 153.09 35.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.432 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -37.29 150.4 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.489 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 30.5 p -108.29 -41.97 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.402 ' O ' ' CD1' ' A' ' 15' ' ' TYR . . . -74.31 123.55 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.112 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -76.1 145.73 39.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.576 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 7.6 p90 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.539 HG23 ' HD2' ' A' ' 13' ' ' PRO . 12.5 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.681 0.753 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.539 ' HD2' HG23 ' A' ' 12' ' ' VAL . 53.8 Cg_endo -69.75 119.21 6.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -110.67 173.51 6.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -148.21 166.96 26.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.517 ' ND1' ' CZ2' ' A' ' 25' ' ' TRP . 38.0 m80 -110.86 105.58 57.21 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.583 0.706 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 2.88 3.15 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.355 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -134.88 177.79 7.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -96.45 173.12 7.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.9 p90 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 pttp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.743 0.306 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.517 ' CZ2' ' ND1' ' A' ' 16' ' ' HIS . 82.2 m95 -96.88 164.35 12.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.936 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -103.3 -31.52 10.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -75.59 -46.33 32.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 p -109.18 -43.26 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m 73.92 45.94 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -81.03 140.57 35.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 32' ' ' GLU . 3.9 pp -59.25 -41.01 87.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.673 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 56.7 mm-40 -50.8 124.83 11.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -49.74 -60.76 2.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.9 mt -101.2 41.61 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.673 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -46.24 141.97 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.9 m -71.14 152.79 43.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.27 150.24 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 25.9 p -107.8 -37.17 6.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 110.838 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.16 120.73 26.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -57.28 135.92 56.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.49 ' CD2' ' HG2' ' A' ' 13' ' ' PRO . 10.0 p90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.669 0.747 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 104.74 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.256 . . . . 0.0 112.317 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 84.8 mttt -98.18 177.57 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -163.58 170.79 16.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.467 ' ND1' ' CZ2' ' A' ' 25' ' ' TRP . 32.7 m80 -114.4 102.12 54.63 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.582 0.705 . . . . 0.0 110.84 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 3.05 2.99 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.261 . . . . 0.0 112.33 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.437 ' CG ' ' HB2' ' A' ' 26' ' ' ARG . 2.0 t-20 -128.98 -179.76 5.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CE1' ' HG3' ' A' ' 26' ' ' ARG . 2.3 p90 -97.29 141.08 30.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 29.4 p-90 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.4 pttt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.785 0.326 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.564 ' CZ3' ' HB3' ' A' ' 20' ' ' TRP . 73.5 m95 -90.72 178.68 6.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.568 ' HG3' ' CE1' ' A' ' 19' ' ' PHE . 23.1 mmm180 -110.57 -40.27 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 p -71.57 -42.3 67.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.2 p -115.07 -29.37 6.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 p 55.66 39.58 30.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -64.67 153.85 38.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.737 HD23 ' H ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -89.09 45.91 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 54.4 mt-10 -147.4 122.25 9.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -53.21 -58.14 8.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.556 ' O ' HD12 ' A' ' 34' ' ' LEU . 4.3 pp -86.06 26.93 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 32' ' ' GLU . . . -44.3 153.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.086 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 37' ' ' GLY . 3.3 m -94.03 144.23 25.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.1 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -34.27 143.95 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.471 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 30.1 p -103.52 -45.88 4.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.23 153.47 42.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -109.88 124.82 52.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 12' ' ' VAL . 8.6 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.597 0.713 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 128.09 15.52 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -116.33 -179.79 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -157.53 164.01 37.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.781 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 58.4 m-70 -109.0 97.98 27.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.589 0.709 . . . . 0.0 110.873 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 3.39 2.79 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.276 . . . . 0.0 112.327 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -135.32 178.27 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -97.91 178.15 5.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.7 pttm . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.789 0.328 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.781 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 77.6 m95 -101.03 166.96 10.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.426 ' NH1' ' HB3' ' A' ' 26' ' ' ARG . 6.0 mmm180 -107.1 -34.93 7.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -77.01 -39.48 50.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.46 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.4 p -116.99 -37.47 3.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m 66.47 51.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.48 ' OE1' ' HB1' ' A' ' 35' ' ' ALA . 65.0 mt-30 -80.38 174.56 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.6 mt -90.77 -57.22 2.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.743 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 43.1 mt-10 -41.26 140.51 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -65.78 -46.65 77.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.58 ' H ' HD23 ' A' ' 34' ' ' LEU . 1.4 pt? -109.86 36.45 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.743 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -51.0 131.66 26.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.4 m -55.23 153.58 6.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -43.59 154.94 0.23 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.543 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.46 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 27.9 p -103.91 -47.12 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.888 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.09 135.74 51.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -88.67 125.97 35.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.4 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.901 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.446 ' O ' HG13 ' A' ' 12' ' ' VAL . 7.7 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.598 0.713 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 112.05 2.99 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.231 . . . . 0.0 112.337 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -102.58 -177.12 3.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -161.05 169.68 22.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.798 ' CD2' ' CH2' ' A' ' 25' ' ' TRP . 65.8 m-70 -114.16 105.86 53.68 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.708 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -8.24 23.11 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.691 2.261 . . . . 0.0 112.325 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -137.82 171.02 15.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.22 177.68 6.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 42.2 p-90 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 pttp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.758 0.313 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.798 ' CH2' ' CD2' ' A' ' 16' ' ' HIS . 80.3 m95 -67.42 169.91 8.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -107.34 -36.7 6.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 p -79.73 -41.9 25.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 p -112.25 -27.96 8.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.7 p 50.64 47.9 23.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -77.66 152.34 33.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.41 ' H ' HD12 ' A' ' 31' ' ' LEU . 5.2 mp -76.16 -41.81 48.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -43.95 134.09 4.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -51.88 -60.74 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.5 mt -100.51 43.94 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -39.6 116.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 37' ' ' GLY . 4.5 m -62.44 156.12 23.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -37.7 144.77 0.16 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 26.9 p -103.62 -43.81 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.861 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.35 154.58 41.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -107.29 139.82 41.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.1 p90 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.874 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.552 HG23 ' HD2' ' A' ' 13' ' ' PRO . 9.4 p . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.602 0.715 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.552 ' HD2' HG23 ' A' ' 12' ' ' VAL . 53.8 Cg_endo -69.82 102.44 1.04 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.441 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 77.2 mttt -101.56 178.73 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -158.4 168.62 26.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.686 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 74.8 m-70 -111.75 100.61 48.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.595 0.712 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 16' ' ' HIS . 54.0 Cg_endo -69.79 3.07 3.0 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.629 2.219 . . . . 0.0 112.379 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.427 ' CG ' ' HB2' ' A' ' 26' ' ' ARG . 4.2 t-20 -136.67 168.7 19.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -88.77 -177.35 5.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 5.8 t90 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.9 pttm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.781 0.324 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.686 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 77.7 m95 -69.43 167.89 15.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.975 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.427 ' HB2' ' CG ' ' A' ' 18' ' ' ASN . 16.4 mmm180 -109.53 -31.78 7.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.4 p -81.76 -42.22 20.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.1 p -112.22 -30.55 7.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.8 m 58.36 43.88 19.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.673 ' OE1' ' HB1' ' A' ' 35' ' ' ALA . 30.2 mt-30 -66.36 -178.46 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 pp -116.15 19.16 15.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -116.59 134.95 54.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.52 -50.22 65.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.651 ' O ' HD12 ' A' ' 34' ' ' LEU . 4.3 pp -104.7 30.89 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.673 ' HB1' ' OE1' ' A' ' 30' ' ' GLN . . . -37.06 129.27 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 m -65.34 150.13 48.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.19 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.441 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -41.35 149.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.456 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 28.7 p -108.75 -34.77 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 0.0 110.884 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.23 123.25 27.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.048 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -82.17 144.96 30.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.1 p90 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.864 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.444 HG23 ' HD2' ' A' ' 13' ' ' PRO . 5.4 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.637 0.732 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.444 ' HD2' HG23 ' A' ' 12' ' ' VAL . 54.4 Cg_endo -69.7 106.2 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.266 . . . . 0.0 112.375 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.434 ' HE2' ' CD ' ' A' ' 40' ' ' GLN . 95.9 mttt -101.12 175.49 5.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -155.42 172.46 18.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -116.65 102.67 53.16 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.592 0.711 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -6.57 18.94 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.747 2.298 . . . . 0.0 112.322 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -135.55 175.34 9.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -115.45 160.21 20.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.457 ' O ' ' CG ' ' A' ' 20' ' ' TRP . 15.4 p-90 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.416 ' CE ' ' HB2' ' A' ' 29' ' ' SER . 14.9 pttt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.829 0.347 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -74.27 154.75 38.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -101.92 -25.38 13.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -86.93 -45.15 11.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.7 p -108.95 -32.94 7.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.416 ' HB2' ' CE ' ' A' ' 24' ' ' LYS . 24.8 p 57.2 48.05 15.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -81.04 128.98 34.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.58 HD23 ' H ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -44.21 -32.62 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.567 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 8.8 mm-40 -59.51 174.22 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.407 ' NZ ' ' CZ2' ' A' ' 20' ' ' TRP . 6.0 tmtm? -102.95 -52.82 2.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.507 ' H ' HD23 ' A' ' 34' ' ' LEU . 1.3 pt? -106.68 35.79 2.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.567 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -46.46 145.82 1.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 37' ' ' GLY . 3.4 m -72.52 149.39 44.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -33.9 142.29 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.475 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 26.5 p -101.38 -47.79 4.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.856 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.64 138.75 56.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.434 ' CD ' ' HE2' ' A' ' 14' ' ' LYS . 5.5 mp0 -89.71 147.11 24.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 39.5 p90 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 -179.914 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.403 ' CG2' ' HG2' ' A' ' 40' ' ' GLN . 2.5 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.676 0.751 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.62 16.29 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.673 2.249 . . . . 0.0 112.362 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 97.6 mttt -116.85 178.95 4.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -157.41 170.53 22.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -111.72 100.87 49.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.62 0.724 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 1.8 4.13 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.665 2.244 . . . . 0.0 112.35 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -131.32 -174.25 3.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -101.49 160.25 14.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 35.6 t90 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.409 ' NZ ' ' HB3' ' A' ' 29' ' ' SER . 18.8 pttt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.736 0.303 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -84.96 171.5 12.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -106.39 -25.53 11.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 p -86.14 -48.28 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 p -107.03 -31.07 8.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 24' ' ' LYS . 50.1 m 62.35 49.0 4.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -88.19 150.92 23.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.4 mt -76.13 -46.4 28.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -38.91 118.3 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -48.86 -55.65 11.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.8 mt -100.57 45.92 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.15 152.91 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 37' ' ' GLY . 2.7 m -94.47 148.67 22.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -33.81 136.66 0.22 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 19.8 p -94.71 -43.08 8.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.839 0.352 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.3 141.46 34.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.068 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.403 ' HG2' ' CG2' ' A' ' 12' ' ' VAL . 52.4 mt-30 -88.31 148.8 24.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.4 p90 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.857 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.619 0.723 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 96.9 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.49 ' HG2' ' N ' ' A' ' 40' ' ' GLN . 2.0 mtmp? -91.26 -175.49 4.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.417 ' CD1' ' O ' ' A' ' 39' ' ' ALA . 29.3 p90 -155.92 169.16 25.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.469 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 73.5 m-70 -111.19 97.36 34.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.611 0.719 . . . . 0.0 110.856 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 3.24 2.89 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -133.02 -177.33 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -95.6 163.66 13.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.565 ' CZ3' ' HA ' ' A' ' 24' ' ' LYS . 1.7 t-105 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.565 ' HA ' ' CZ3' ' A' ' 20' ' ' TRP . 20.5 pttm . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.749 0.309 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.469 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 86.0 m95 -66.48 160.88 24.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -105.41 -24.32 12.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -86.22 -43.52 12.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.0 p -114.6 -25.05 8.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.466 ' HB2' ' CE ' ' A' ' 24' ' ' LYS . 26.1 p 48.27 43.88 19.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.809 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -61.89 -177.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 pp -114.32 24.05 12.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.681 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 9.5 mt-10 -113.76 169.28 9.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -79.85 -59.89 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.4 mt -114.5 39.2 2.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.681 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -39.63 146.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.07 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' GLY . 8.6 m -76.01 156.43 34.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.439 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -37.49 148.54 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.469 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 19.9 p -105.82 -43.87 4.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.432 ' C ' ' HG2' ' A' ' 14' ' ' LYS . . . -72.22 110.74 6.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.49 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 21.5 mt-30 -73.84 137.36 43.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.1 p90 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.867 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.619 0.723 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.485 ' HG2' ' CD1' ' A' ' 41' ' ' TYR . 53.8 Cg_endo -69.8 121.59 8.27 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -112.54 177.69 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 39' ' ' ALA . 30.3 p90 -151.59 169.81 21.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -116.58 107.17 47.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.575 0.703 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -7.63 21.55 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -129.7 -174.91 3.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CE2' ' O ' ' A' ' 20' ' ' TRP . 61.2 t80 -123.43 160.99 25.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.597 ' O ' ' CE3' ' A' ' 20' ' ' TRP . 1.1 t90 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.4 pttm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.735 0.303 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -76.53 153.31 35.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -101.11 -13.37 18.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.6 p -94.87 -35.62 11.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.9 p -121.59 -38.41 2.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 m 73.41 34.02 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -75.36 143.29 42.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.3 mt -68.42 -43.38 77.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.452 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 59.5 mt-10 -45.38 132.74 7.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -70.87 -45.1 65.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mp -102.21 40.08 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.452 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -55.59 164.22 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.577 HG22 ' N ' ' A' ' 37' ' ' GLY . 20.3 m -106.19 165.53 11.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.577 ' N ' HG22 ' A' ' 36' ' ' THR . . . -37.27 152.91 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.471 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 25.4 p -119.24 -34.98 3.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.869 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.596 ' O ' ' CD1' ' A' ' 15' ' ' TYR . . . -87.58 115.5 25.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -53.46 130.29 35.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.485 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -173.55 174.92 3.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t -161.36 137.06 7.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.67 103.36 0.41 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -142.56 161.04 39.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.358 . . . . 0.0 110.871 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -132.79 148.41 52.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.81 -168.32 19.16 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -114.04 144.67 42.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.367 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.414 ' OD1' ' C ' ' A' ' 9' ' ' ASN . 0.9 OUTLIER -96.01 157.48 15.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.8 p -105.86 -48.42 3.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.781 HD13 ' N ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -123.09 148.64 45.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.945 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.781 ' N ' HD13 ' A' ' 11' ' ' LEU . 4.8 t -35.81 136.37 0.49 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.605 0.717 . . . . 0.0 111.125 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 12' ' ' VAL . 53.5 Cg_endo -69.74 98.71 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.722 2.282 . . . . 0.0 112.373 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 37.8 mttt -96.16 176.3 6.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -152.0 166.1 32.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -106.65 96.72 14.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.603 0.716 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 3.19 2.91 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -133.0 178.96 6.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -98.87 171.02 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.422 ' CD1' ' C ' ' A' ' 20' ' ' TRP . 1.2 t90 -110.24 121.28 44.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.7 mtm -150.19 147.7 28.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.6 t70 71.31 45.89 0.46 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 49.21 35.55 20.06 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -174.76 145.86 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.751 0.31 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -65.52 173.02 2.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -109.6 -33.12 6.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.5 p -79.57 -40.02 30.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 p -115.99 -31.84 5.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 m 62.83 45.42 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.43 ' CD ' ' HB1' ' A' ' 35' ' ' ALA . 32.4 mt-30 -71.48 179.47 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.61 27.32 7.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -122.71 139.62 53.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -65.71 -40.32 92.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.8 mt -102.12 25.39 8.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.43 ' HB1' ' CD ' ' A' ' 30' ' ' GLN . . . -42.2 128.21 3.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 37' ' ' GLY . 2.0 m -78.94 147.68 32.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -34.03 147.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.459 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 19.9 p -105.37 -38.81 6.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 0.0 110.847 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.41 120.28 24.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -65.71 144.41 56.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -48.1 175.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.98 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -125.05 117.37 25.72 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.63 0.728 . . . . 0.0 110.888 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -50.11 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.707 2.271 . . . . 0.0 112.329 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.6 p -72.33 -60.03 2.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -60.33 91.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -169.88 172.52 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -124.09 42.15 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.5 m -158.83 156.78 30.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -139.6 144.03 37.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.455 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 70.7 tttt -125.0 139.33 33.34 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 110.879 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.455 ' HD2' ' CG ' ' A' ' 50' ' ' LYS . 53.8 Cg_endo -69.7 177.51 5.47 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.736 2.291 . . . . 0.0 112.344 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.4 mt -73.16 154.48 90.48 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.6 0.714 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 148.27 65.08 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.718 2.278 . . . . 0.0 112.375 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -173.43 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.638 2.226 . . . . 0.0 112.357 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 37.2 p -106.55 147.29 34.69 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.539 0.685 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 177.77 5.25 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.665 2.243 . . . . 0.0 112.312 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -101.34 -178.49 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' ASN . 3.0 p30 -89.86 -179.2 5.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' ASP . 4.1 m120 -36.27 146.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.2 176.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -170.38 148.39 2.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.592 0.71 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 168.37 21.79 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.684 2.256 . . . . 0.0 112.365 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.751 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -111.58 58.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 15.6 p-90 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.914 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.0 p -171.16 150.9 3.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.932 0.396 . . . . 0.0 110.806 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 t -154.68 153.9 32.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.52 -126.58 2.33 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -152.17 152.17 31.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.36 . . . . 0.0 110.881 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -95.31 154.58 17.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.54 84.24 0.82 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -120.09 167.34 12.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -98.81 100.91 12.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t 42.0 46.69 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 12' ' ' VAL . 7.5 tt -115.53 137.0 52.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.675 HG13 ' HD2' ' A' ' 13' ' ' PRO . 95.8 t -140.95 138.7 18.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.652 0.739 . . . . 0.0 111.094 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.675 ' HD2' HG13 ' A' ' 12' ' ' VAL . 53.6 Cg_endo -69.78 93.9 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.324 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HE2' ' CG ' ' A' ' 40' ' ' GLN . 70.9 mttt -95.24 164.58 12.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.428 ' CD1' ' O ' ' A' ' 39' ' ' ALA . 35.6 p90 -147.03 173.63 12.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -111.41 96.16 30.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 1.57 4.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.354 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -127.94 -174.82 3.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -96.84 165.45 12.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.555 ' HB3' ' CH2' ' A' ' 25' ' ' TRP . 16.6 p90 -116.14 100.15 7.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.3 mmt -64.9 169.37 5.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -75.73 48.48 0.47 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -174.1 -30.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -172.58 -179.58 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.78 0.324 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.555 ' CH2' ' HB3' ' A' ' 20' ' ' TRP . 71.4 m95 -97.0 166.42 11.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.1 mmm-85 -107.78 -13.75 14.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 p -97.47 -37.4 10.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.6 p -124.85 -26.42 3.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.2 t 56.85 53.28 8.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -83.8 160.62 21.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.08 -36.61 61.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.67 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 55.8 mm-40 -64.73 162.07 16.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -88.51 -50.59 6.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.961 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mp -103.55 26.98 7.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.67 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -41.27 144.91 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 m -62.95 153.98 31.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.442 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -40.55 162.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.462 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 29.0 p -121.51 -33.18 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.428 ' O ' ' CD1' ' A' ' 15' ' ' TYR . . . -84.23 113.24 20.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.467 ' CG ' ' HE2' ' A' ' 14' ' ' LYS . 46.5 mt-30 -64.98 146.53 54.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.541 ' CE1' ' HD3' ' A' ' 43' ' ' PRO . 21.8 p90 -50.67 177.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.401 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 6.2 m-20 -136.53 106.14 9.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.577 0.704 . . . . 0.0 110.854 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.541 ' HD3' ' CE1' ' A' ' 41' ' ' TYR . 53.7 Cg_endo -69.79 -44.79 1.85 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.6 t -47.72 -41.44 22.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -39.61 -55.43 1.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 47' ' ' ALA . 42.8 t-20 -125.72 -59.46 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 43' ' ' PRO . . . -34.83 144.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.9 p 50.21 44.45 26.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.0 tttt -63.94 -52.4 59.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -63.29 152.92 83.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.585 0.707 . . . . 0.0 110.894 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 171.23 14.85 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.354 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.2 mt -117.19 149.34 44.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.661 0.743 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 169.76 18.11 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.665 2.244 . . . . 0.0 112.387 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 161.48 45.78 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.341 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.08 159.65 61.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.572 0.701 . . . . 0.0 111.15 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 2.78 3.21 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.677 2.251 . . . . 0.0 112.355 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 58' ' ' ASP . 10.3 mm-40 -47.9 175.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 57' ' ' GLU . 4.9 t70 -34.61 136.69 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -58.83 179.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.9 ptt85 -110.53 -177.04 3.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -117.26 156.25 48.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -179.36 2.88 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.713 2.276 . . . . 0.0 112.308 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 64' ' ' TRP . 3.9 mm? -80.58 43.4 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.447 ' C ' ' O ' ' A' ' 63' ' ' LEU . 8.5 m-90 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 t -89.27 123.18 33.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.874 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 t -118.16 42.14 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -145.81 123.74 1.93 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 4' ' ' GLY . 72.1 m -36.05 -55.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.891 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -52.28 166.27 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.808 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.68 116.51 2.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -128.31 103.5 7.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -120.59 39.98 3.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -119.1 154.32 33.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.52 ' H ' HD23 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -83.76 155.99 22.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.741 HG23 ' CE2' ' A' ' 41' ' ' TYR . 10.7 p -85.16 124.42 72.12 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.649 0.737 . . . . 0.0 111.118 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 102.96 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.624 2.216 . . . . 0.0 112.389 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -82.72 173.63 11.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -151.31 175.53 12.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.417 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 88.9 m-70 -114.77 100.46 53.41 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.564 0.697 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 2.58 3.4 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -132.86 -175.91 3.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -91.35 171.87 8.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.564 ' HB3' ' CE3' ' A' ' 25' ' ' TRP . 14.6 p-90 -126.56 97.17 4.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 22' ' ' ASP . 8.2 mtt -74.75 146.68 41.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 21' ' ' MET . 7.4 p-10 -34.81 -39.91 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.818 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.86 -57.12 10.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -174.4 178.24 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.564 ' CE3' ' HB3' ' A' ' 20' ' ' TRP . 84.4 m95 -71.59 168.23 18.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -108.88 -30.96 7.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 p -79.67 -46.47 17.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.6 p -109.08 -31.58 7.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 m 60.97 44.74 10.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -73.63 145.77 45.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.813 ' O ' HD12 ' A' ' 31' ' ' LEU . 4.1 pp -81.73 41.58 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -137.77 145.96 43.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.4 ' HB3' HD12 ' A' ' 34' ' ' LEU . 5.8 ttpm? -70.62 -54.13 13.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' A' ' 33' ' ' LYS . 4.4 mp -98.23 39.25 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.454 ' HB3' ' NE1' ' A' ' 25' ' ' TRP . . . -48.65 143.01 5.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.9 m -81.76 151.66 27.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.17 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -38.79 145.47 0.2 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.462 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 25.6 p -108.51 -41.98 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.372 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.49 157.76 37.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -106.04 124.12 49.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.741 ' CE2' HG23 ' A' ' 12' ' ' VAL . 2.3 p90 -45.65 165.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.446 ' CB ' ' HE3' ' A' ' 45' ' ' LYS . 20.4 m-20 -118.76 121.58 30.56 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.718 . . . . 0.0 110.852 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -43.72 2.51 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.457 HG23 ' N ' ' A' ' 45' ' ' LYS . 10.2 t -59.34 -43.7 92.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.457 ' N ' HG23 ' A' ' 44' ' ' THR . 36.2 mtmt -80.72 -67.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -166.91 128.68 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.536 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . . . -137.57 134.61 35.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.4 t -112.61 83.2 1.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.416 ' HD2' ' C ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -120.88 -51.72 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.462 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 35.1 ttmt -172.63 139.57 0.95 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.537 0.684 . . . . 0.0 110.928 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 50' ' ' LYS . 53.9 Cg_endo -69.78 168.37 21.78 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 42.5 mt -152.04 153.6 31.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.589 0.709 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 147.7 62.96 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.623 2.215 . . . . 0.0 112.344 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 149.8 67.27 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.656 2.237 . . . . 0.0 112.369 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.3 p -122.26 151.38 58.95 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.574 0.702 . . . . 0.0 111.128 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 57' ' ' GLU . 54.0 Cg_endo -69.74 3.0 3.02 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 56' ' ' PRO . 8.7 mp0 34.8 41.65 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.59 -45.41 2.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -133.35 164.84 26.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -71.98 -61.18 1.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -73.67 143.68 82.22 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.616 0.722 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 152.35 69.38 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.714 2.276 . . . . 0.0 112.345 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.487 ' O ' ' CG ' ' A' ' 64' ' ' TRP . 1.7 pt? -126.18 38.78 4.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.487 ' CG ' ' O ' ' A' ' 63' ' ' LEU . 46.9 p90 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.3 p 43.02 42.19 3.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.818 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.6 m -46.84 166.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.76 -99.32 0.12 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.498 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -56.94 146.13 27.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -78.15 175.17 10.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.857 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.72 -152.25 5.6 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -61.05 167.88 2.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -96.73 -61.54 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.1 m -117.1 45.14 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.48 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -124.54 40.23 3.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.501 HG23 ' HD2' ' A' ' 13' ' ' PRO . 14.2 p -150.64 136.76 10.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.653 0.74 . . . . 0.0 111.085 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.501 ' HD2' HG23 ' A' ' 12' ' ' VAL . 53.5 Cg_endo -69.86 110.12 2.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.668 2.246 . . . . 0.0 112.286 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 84.0 mttt -103.86 176.91 5.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -161.28 168.12 24.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 80.3 m-70 -113.25 104.61 55.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.569 0.699 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 16' ' ' HIS . 53.3 Cg_endo -69.82 -5.14 15.54 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -131.9 -176.39 4.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' A' ' 20' ' ' TRP . 78.5 t80 -98.38 168.36 10.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.517 ' HB2' ' CD2' ' A' ' 25' ' ' TRP . 3.6 t90 -112.68 105.47 13.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' GLY . 20.2 mmt -78.64 145.34 34.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 21' ' ' MET . 47.4 m-20 -34.72 -34.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' MET . . . -73.13 -56.34 5.78 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -174.63 178.95 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.706 0.289 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.517 ' CD2' ' HB2' ' A' ' 20' ' ' TRP . 76.0 m95 -69.67 162.08 28.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -107.76 -19.46 13.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 p -93.17 -42.9 9.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.5 p -117.92 -17.25 9.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.2 p 40.61 45.29 1.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -64.72 174.26 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.716 ' O ' HD12 ' A' ' 31' ' ' LEU . 4.0 pp -110.26 41.91 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -128.67 175.16 8.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -93.8 -46.96 6.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.453 ' H ' HD23 ' A' ' 34' ' ' LEU . 1.2 pt? -110.56 33.41 4.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -37.85 129.87 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 37' ' ' GLY . 5.0 m -77.62 154.78 31.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.184 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.443 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -36.94 140.95 0.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.469 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 25.7 p -102.75 -39.43 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.24 134.36 44.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -92.38 147.88 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.425 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 6.6 p90 -47.85 161.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -108.63 122.12 41.19 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.598 0.713 . . . . 0.0 110.832 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -30.7 21.73 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.666 2.244 . . . . 0.0 112.375 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 t -166.99 129.84 1.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -130.61 -33.54 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 47' ' ' ALA . 0.5 OUTLIER -83.22 44.98 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 46' ' ' ASN . . . 34.91 42.97 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.9 m -173.45 146.38 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -94.73 90.46 6.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.34 152.83 28.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.586 0.708 . . . . 0.0 110.885 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 146.23 59.91 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.716 2.278 . . . . 0.0 112.323 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.444 ' CD2' ' HD2' ' A' ' 53' ' ' PRO . 15.6 mt -136.03 159.25 71.75 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.603 0.716 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.444 ' HD2' ' CD2' ' A' ' 52' ' ' LEU . 53.7 Cg_endo -69.73 169.85 17.92 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.36 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 161.98 43.84 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.297 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.3 p -131.27 154.08 81.85 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.626 0.727 . . . . 0.0 111.177 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 57' ' ' GLU . 53.7 Cg_endo -69.77 -177.09 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.662 2.242 . . . . 0.0 112.345 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 56' ' ' PRO . 9.6 tp10 -37.12 122.87 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 59' ' ' ASN . 22.6 t0 -52.35 -55.66 20.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 58' ' ' ASP . 28.6 t-20 -35.22 145.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 73.01 40.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -45.42 152.48 0.65 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.624 0.726 . . . . 0.0 110.841 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 157.61 59.75 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.681 2.254 . . . . 0.0 112.333 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -89.34 37.25 0.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 19.8 m95 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.905 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.2 p 43.6 42.01 3.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 0.0 110.894 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 t -163.47 164.72 24.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.37 145.56 4.15 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -162.59 136.28 6.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.891 0.376 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 m -99.51 -54.15 3.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.7 112.51 0.48 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -139.61 131.48 27.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -124.26 43.81 2.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.1 t -163.43 156.75 19.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.9 tp 51.08 40.52 25.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.552 HG13 ' HD2' ' A' ' 13' ' ' PRO . 90.2 t -84.51 135.91 40.44 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.617 0.722 . . . . 0.0 111.131 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 41' ' ' TYR . 53.4 Cg_endo -69.74 95.54 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.659 2.239 . . . . 0.0 112.332 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 37.0 mttt -96.85 172.7 7.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.452 ' N ' ' HA3' ' A' ' 37' ' ' GLY . 43.0 p90 -152.34 169.7 21.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -110.06 97.97 32.48 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 1.58 4.26 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -133.61 179.54 6.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -101.91 170.17 8.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -102.53 128.0 49.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 48.7 mtm -149.23 164.9 33.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.864 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 50.1 46.23 24.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.07 40.06 50.65 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.1 pttt -174.64 175.64 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.734 0.302 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -92.17 167.25 12.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.2 mmt85 -106.05 -31.69 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -81.74 -44.43 17.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.467 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 4.6 p -116.22 -21.84 9.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.6 p 47.61 52.96 11.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -83.33 155.1 23.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.8 mt -61.94 -48.56 79.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.654 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 92.8 mt-10 -50.87 129.31 23.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -57.76 -50.73 72.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.7 mt -109.16 39.31 2.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.654 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -42.58 157.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 37' ' ' GLY . 7.3 m -82.9 153.89 24.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.178 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -34.21 144.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.516 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 24.3 p -107.6 -38.4 5.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.56 118.69 19.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.062 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -69.11 141.73 54.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.582 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 21.8 p90 -52.04 -177.24 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.405 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 3.5 m-20 -125.23 104.51 28.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.625 0.726 . . . . 0.0 110.815 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 42' ' ' ASP . 53.7 Cg_endo -69.74 2.77 3.22 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.2 t -174.93 129.03 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.122 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.69 -47.25 1.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -124.29 -49.66 1.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.82 168.05 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.064 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 m -161.91 172.73 15.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -166.33 120.44 1.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -127.44 158.43 69.71 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.544 0.687 . . . . 0.0 110.916 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -179.77 3.15 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mp -127.63 151.53 75.37 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.614 0.721 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 168.61 21.09 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.694 2.263 . . . . 0.0 112.331 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 163.13 39.39 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.662 2.242 . . . . 0.0 112.366 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.2 p -129.96 157.51 76.68 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.541 0.686 . . . . 0.0 111.136 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 57' ' ' GLU . 53.9 Cg_endo -69.75 -178.47 2.35 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.655 2.237 . . . . 0.0 112.322 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 56' ' ' PRO . 27.0 mt-10 -34.55 108.39 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.27 176.22 8.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -108.98 130.91 55.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.401 ' HD2' ' C ' ' A' ' 60' ' ' ARG . 1.6 ppt_? -119.58 170.78 8.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.96 146.41 60.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.558 0.694 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 178.24 4.77 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.689 2.259 . . . . 0.0 112.355 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.758 ' H ' HD23 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -95.39 -28.17 15.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.961 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 29.0 m95 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -136.47 164.6 27.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.387 . . . . 0.0 110.849 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -156.32 161.37 40.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.25 -178.91 16.28 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.486 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -96.52 136.38 37.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.381 . . . . 0.0 110.876 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 p -68.77 136.36 52.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.62 -84.63 1.76 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 53.18 41.79 32.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.8 m120 46.63 43.06 12.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.1 p -89.18 161.48 16.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 mp -51.79 178.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.549 HG13 ' HD2' ' A' ' 13' ' ' PRO . 41.5 t -94.07 137.44 22.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 111.098 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.549 ' HD2' HG13 ' A' ' 12' ' ' VAL . 53.8 Cg_endo -69.78 95.66 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.631 2.221 . . . . 0.0 112.314 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 76.8 mttt -94.88 167.99 11.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -147.89 168.48 22.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.751 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 70.4 m-70 -109.51 99.75 38.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.6 0.714 . . . . 0.0 110.841 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 16' ' ' HIS . 53.9 Cg_endo -69.75 3.08 2.97 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.728 2.286 . . . . 0.0 112.343 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -135.99 -179.13 5.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -101.98 -177.91 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.578 ' CE3' ' O ' ' A' ' 20' ' ' TRP . 0.8 OUTLIER -112.08 123.35 50.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 24' ' ' LYS . 8.4 mmt -130.34 176.69 7.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.481 ' C ' ' O ' ' A' ' 21' ' ' MET . 12.4 p-10 31.76 49.41 0.12 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.78 46.32 54.6 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.488 ' N ' ' NE1' ' A' ' 20' ' ' TRP . 13.5 pttt -175.77 164.76 3.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.715 0.293 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.751 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 75.0 m95 -73.42 163.53 27.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.934 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -106.87 -27.65 10.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 p -85.21 -40.71 16.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 p -115.82 -29.54 6.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.4 p 57.9 42.95 22.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -73.49 132.79 43.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.575 ' H ' HD23 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -47.52 -34.82 8.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.717 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 5.7 mm-40 -66.36 151.48 47.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.9 pttm -90.4 -34.03 15.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.5 mt -110.34 28.8 8.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.717 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -53.74 146.78 12.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.065 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 37' ' ' GLY . 3.0 m -75.95 148.26 38.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -33.57 145.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 21.5 p -99.75 -41.9 7.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.73 126.42 29.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 41' ' ' TYR . 5.4 mt-30 -78.14 133.38 37.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 40' ' ' GLN . 1.6 p90 -49.65 -179.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.423 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -116.29 103.07 53.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.588 0.709 . . . . 0.0 110.915 179.877 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 42' ' ' ASP . 54.0 Cg_endo -69.73 -43.52 2.63 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.337 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.9 p -86.87 78.1 9.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 46' ' ' ASN . 3.4 mmmm -132.0 72.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER 37.42 43.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.14 177.2 7.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.8 t -137.41 147.66 45.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -19.87 61.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.442 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 29.8 tttm -161.78 139.65 6.79 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.562 0.696 . . . . 0.0 110.921 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 50' ' ' LYS . 54.4 Cg_endo -69.71 134.04 27.12 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.68 2.254 . . . . 0.0 112.346 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.56 159.38 85.51 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.701 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.74 18.17 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.656 2.237 . . . . 0.0 112.366 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 142.26 47.4 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.349 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.28 160.69 44.74 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.586 0.708 . . . . 0.0 111.1 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 57' ' ' GLU . 53.9 Cg_endo -69.76 -176.67 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.655 2.237 . . . . 0.0 112.387 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 56' ' ' PRO . 1.4 pt-20 -34.34 118.77 0.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 59' ' ' ASN . 20.6 m-20 -126.27 172.62 9.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 58' ' ' ASP . 73.2 m-80 -163.93 145.97 9.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 59' ' ' ASN . 23.6 ptt180 -34.55 139.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.21 138.42 21.81 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 110.858 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -178.7 2.47 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.297 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 64' ' ' TRP . 0.7 OUTLIER -133.97 36.36 3.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.529 ' O ' ' CD2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 t -168.64 139.57 2.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.923 0.392 . . . . 0.0 110.865 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.4 p -133.67 147.85 51.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.815 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.15 111.03 3.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.3 m -57.12 -50.88 71.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.82 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.6 p -40.11 130.79 2.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.4 85.63 0.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.516 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -105.88 110.3 22.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -44.86 -59.69 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.2 m -50.86 162.83 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.827 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.498 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -47.82 176.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.894 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.739 HG11 ' OE1' ' A' ' 40' ' ' GLN . 5.3 p -84.69 135.48 40.44 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.637 0.732 . . . . 0.0 111.13 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.548 ' HD2' HG23 ' A' ' 12' ' ' VAL . 53.8 Cg_endo -69.75 103.82 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.647 2.231 . . . . 0.0 112.358 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 38.5 mttt -86.29 175.19 8.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -152.31 172.45 16.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 89.6 m-70 -111.51 105.45 56.77 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.613 0.721 . . . . 0.0 110.83 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 16' ' ' HIS . 53.9 Cg_endo -69.74 -2.8 10.77 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.72 2.28 . . . . 0.0 112.3 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -133.11 179.31 6.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -91.9 173.29 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.522 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 19.3 t90 -117.92 99.54 6.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.487 ' O ' ' N ' ' A' ' 23' ' ' GLY . 5.4 mmt -74.47 144.83 44.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.853 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 21' ' ' MET . 0.6 OUTLIER -34.42 -33.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 21' ' ' MET . . . -73.93 -58.89 4.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.479 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -175.03 -176.97 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.522 ' CE2' ' HB2' ' A' ' 20' ' ' TRP . 91.1 m95 -75.28 148.41 39.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -95.02 -24.74 16.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.7 p -85.33 -47.73 9.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.466 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 3.5 p -115.1 -26.12 7.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.442 ' N ' ' HB2' ' A' ' 25' ' ' TRP . 8.5 p 48.0 47.58 18.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -74.1 134.7 42.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 32' ' ' GLU . 4.0 pp -53.97 -40.39 66.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.489 ' N ' HD12 ' A' ' 31' ' ' LEU . 32.0 mt-10 -56.49 141.35 42.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -71.25 -56.24 6.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.688 ' H ' HD23 ' A' ' 34' ' ' LEU . 1.3 pt? -87.95 29.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -37.76 145.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 37' ' ' GLY . 2.3 m -91.86 153.76 19.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -35.25 137.47 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 12.9 p -97.64 -42.06 7.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.53 137.03 36.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.739 ' OE1' HG11 ' A' ' 12' ' ' VAL . 36.0 mt-30 -83.98 124.93 31.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 1.0 OUTLIER -43.21 153.03 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.883 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -125.29 119.4 24.99 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.609 0.719 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.511 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 54.1 Cg_endo -69.76 -49.52 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.403 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.505 HG23 ' N ' ' A' ' 45' ' ' LYS . 7.6 t -60.89 -47.71 85.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.505 ' N ' HG23 ' A' ' 44' ' ' THR . 0.0 OUTLIER -34.94 -50.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -101.46 -55.48 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 43' ' ' PRO . . . -68.51 136.93 53.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.1 t -100.73 86.57 3.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -117.94 -56.58 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.486 ' CD ' ' HD2' ' A' ' 51' ' ' PRO . 37.2 mmtt -68.64 159.79 80.04 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.52 0.676 . . . . 0.0 110.889 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.486 ' HD2' ' CD ' ' A' ' 50' ' ' LYS . 53.4 Cg_endo -69.74 134.3 27.7 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.633 2.222 . . . . 0.0 112.395 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 46.5 mt -95.26 154.52 39.45 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.598 0.714 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 169.68 18.35 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 170.64 16.08 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.673 2.249 . . . . 0.0 112.351 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.7 p -109.44 151.32 42.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.572 0.701 . . . . 0.0 111.136 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 2.92 3.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.38 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -110.01 36.73 2.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -77.86 170.43 16.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -87.05 -57.54 2.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.3 ttt-85 -122.49 127.73 49.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.2 ptt85 -140.27 142.93 31.52 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.556 0.693 . . . . 0.0 110.91 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 146.61 60.81 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.694 2.262 . . . . 0.0 112.303 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.8 mt -133.69 76.54 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 13.3 p-90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 179.89 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.445 ' N ' ' HD3' ' A' ' 50' ' ' LYS . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 m -123.18 42.08 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.362 . . . . 0.0 110.845 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.0 p -171.31 174.35 4.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.0 72.1 0.94 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.514 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -112.96 -49.69 2.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.875 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 t -146.06 110.05 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.16 -176.95 42.06 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -108.58 42.72 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.477 ' HB3' ' CD1' ' A' ' 11' ' ' LEU . 53.7 m-80 -157.15 137.28 12.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.544 ' HB2' HG23 ' A' ' 12' ' ' VAL . 38.5 p -97.7 -54.99 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 9' ' ' ASN . 4.9 mp 58.53 44.95 17.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.544 HG23 ' HB2' ' A' ' 10' ' ' SER . 15.3 t -100.58 136.51 19.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.604 0.716 . . . . 0.0 111.129 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 12' ' ' VAL . 53.9 Cg_endo -69.76 96.86 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.365 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' C ' ' HA3' ' A' ' 37' ' ' GLY . 52.0 mttt -95.76 171.12 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' A' ' 39' ' ' ALA . 22.4 p90 -143.17 170.79 15.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -112.42 95.81 33.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.585 0.707 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 3.17 2.91 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.354 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -141.88 157.69 44.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.483 ' CE1' ' CE ' ' A' ' 21' ' ' MET . 0.7 OUTLIER -80.82 177.26 9.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.48 ' HB3' ' CE3' ' A' ' 25' ' ' TRP . 8.6 p90 -119.5 133.66 55.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.483 ' CE ' ' CE1' ' A' ' 19' ' ' PHE . 34.1 mtm -150.28 151.17 32.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.1 t0 67.88 43.08 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.37 39.74 83.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 pttt -173.13 167.59 4.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.48 ' CE3' ' HB3' ' A' ' 20' ' ' TRP . 79.0 m95 -90.24 172.01 9.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.435 ' HG3' ' CE1' ' A' ' 19' ' ' PHE . 12.6 mmm180 -107.26 -39.66 5.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.832 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 p -75.29 -38.95 60.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.6 p -116.38 -34.21 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 p 56.9 39.11 29.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -62.71 156.48 23.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.499 HD12 ' N ' ' A' ' 31' ' ' LEU . 3.9 mp -91.11 39.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -130.11 176.95 7.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -107.0 -39.95 5.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 35' ' ' ALA . 4.0 pp -99.6 14.25 30.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -35.03 134.67 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.536 HG22 ' N ' ' A' ' 37' ' ' GLY . 11.3 m -93.17 164.48 13.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.536 ' N ' HG22 ' A' ' 36' ' ' THR . . . -34.82 147.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.469 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 23.3 p -114.07 -35.22 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.842 0.353 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.532 ' O ' ' CD1' ' A' ' 15' ' ' TYR . . . -83.34 113.66 20.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.414 ' CG ' HG11 ' A' ' 12' ' ' VAL . 3.7 tt0 -50.53 142.51 10.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -48.59 162.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -115.15 106.25 51.54 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.59 0.709 . . . . 0.0 110.837 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -48.91 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.331 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.564 HG23 ' N ' ' A' ' 45' ' ' LYS . 5.8 t -60.28 -52.24 66.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.564 ' N ' HG23 ' A' ' 44' ' ' THR . 17.7 mmmt -34.29 -47.23 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -163.25 125.23 2.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.45 166.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.6 m -132.91 161.17 34.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -87.01 84.59 7.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 1' ' ' GLY . 28.3 mttp -146.58 157.47 48.06 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.575 0.702 . . . . 0.0 110.931 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -175.48 1.17 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.64 2.227 . . . . 0.0 112.331 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.02 158.46 31.75 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 129.73 18.11 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.728 2.285 . . . . 0.0 112.297 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -175.32 1.12 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.721 2.28 . . . . 0.0 112.361 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.9 p -109.05 151.83 42.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 111.134 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -176.35 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.694 2.262 . . . . 0.0 112.336 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -117.97 -175.35 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.85 177.33 8.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -134.1 -174.99 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 62.33 48.31 4.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.847 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -59.04 152.8 48.78 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.588 0.708 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 63' ' ' LEU . 53.7 Cg_endo -69.78 174.63 9.24 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.634 2.223 . . . . 0.0 112.306 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.585 HD12 ' N ' ' A' ' 64' ' ' TRP . 3.3 pp -34.6 -41.71 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.585 ' N ' HD12 ' A' ' 63' ' ' LEU . 67.0 m95 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m 44.93 42.13 5.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.924 0.392 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 t -38.87 -50.52 1.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.97 68.23 0.96 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.506 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.9 p -51.43 158.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -106.22 42.18 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.35 -112.5 4.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -121.93 92.92 3.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -103.49 96.25 6.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 t 53.28 43.22 31.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.7 mt -135.46 147.66 48.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.563 HG23 ' HD2' ' A' ' 13' ' ' PRO . 9.1 p -87.43 137.35 32.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.63 0.729 . . . . 0.0 111.141 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.563 ' HD2' HG23 ' A' ' 12' ' ' VAL . 53.8 Cg_endo -69.76 121.59 8.28 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.705 2.27 . . . . 0.0 112.364 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 77.0 mttt -107.81 175.3 5.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -150.95 169.52 21.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.556 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 70.8 m-70 -113.68 105.85 54.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.632 0.729 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -6.41 18.55 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.725 2.284 . . . . 0.0 112.35 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -135.8 175.55 9.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.47 ' CE1' ' CE ' ' A' ' 21' ' ' MET . 0.3 OUTLIER -94.17 178.02 5.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 26.7 p90 -115.91 139.02 50.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.47 ' CE ' ' CE1' ' A' ' 19' ' ' PHE . 17.7 mtm -154.25 155.15 34.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.7 t70 63.15 40.4 8.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.86 40.77 95.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -174.14 173.09 3.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.749 0.309 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.556 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 80.8 m95 -91.71 169.13 10.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -104.95 -38.46 6.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -76.94 -43.64 34.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.453 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.6 p -109.71 -32.49 7.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 p 52.17 42.02 30.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -64.09 160.11 18.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.9 mt -93.21 39.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.471 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 32.0 mt-10 -131.17 170.71 14.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 5.8 mptt -89.02 -58.89 2.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.68 ' H ' HD23 ' A' ' 34' ' ' LEU . 1.8 pt? -99.91 35.66 1.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.471 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -45.89 119.11 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 m -60.84 156.91 16.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.403 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -39.07 147.88 0.13 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.453 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 28.6 p -105.45 -42.15 5.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.55 134.6 39.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -80.85 134.86 35.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 3.1 p90 -43.69 152.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.481 ' HB2' ' CB ' ' A' ' 45' ' ' LYS . 32.0 m-20 -98.82 116.56 65.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.576 0.703 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -51.25 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.334 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.4 p -64.85 -24.04 67.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.124 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.481 ' CB ' ' HB2' ' A' ' 42' ' ' ASP . 11.3 tppt? -64.66 -44.17 91.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -148.73 111.4 4.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.05 135.68 35.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -173.22 130.23 0.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -60.4 -62.5 1.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.455 ' CD ' ' HD2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -78.74 137.67 58.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.585 0.707 . . . . 0.0 110.891 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.455 ' HD2' ' CD ' ' A' ' 50' ' ' LYS . 53.6 Cg_endo -69.82 134.21 27.33 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.779 HD13 ' H ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -107.16 155.53 39.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.607 0.718 . . . . 0.0 110.872 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 169.33 19.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.362 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 55' ' ' THR . 53.4 Cg_endo -69.72 -171.29 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.264 . . . . 0.0 112.342 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 54' ' ' PRO . 35.2 p -34.27 142.66 0.22 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.606 0.717 . . . . 0.0 111.139 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 172.79 12.0 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.659 2.239 . . . . 0.0 112.323 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.95 37.38 4.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -155.28 -179.41 8.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -61.21 164.74 5.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 61' ' ' ARG . 8.6 tpt180 -79.2 146.56 33.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.449 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.5 OUTLIER -80.54 140.56 51.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.632 0.73 . . . . 0.0 110.852 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 163.68 37.4 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.664 2.242 . . . . 0.0 112.327 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 63' ' ' LEU . 3.8 mp -123.65 78.56 1.62 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 99.4 m95 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.918 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -115.2 156.88 24.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.362 . . . . 0.0 110.879 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 p -114.97 173.63 6.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.91 -123.59 1.46 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.448 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 p -156.44 138.47 14.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 110.825 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.4 p -118.04 175.9 5.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.65 119.5 3.72 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.461 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -157.51 119.54 3.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -96.58 83.17 3.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.1 m -128.79 156.85 42.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.5 mt -42.76 118.01 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.457 HG23 ' HE1' ' A' ' 41' ' ' TYR . 11.1 p -49.22 123.84 13.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.641 0.734 . . . . 0.0 111.181 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 41' ' ' TYR . 53.2 Cg_endo -69.8 118.61 5.78 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.308 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 91.6 mttt -116.01 169.36 9.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -144.65 173.8 11.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -116.14 102.77 53.68 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.566 0.698 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.07 2.96 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.65 2.234 . . . . 0.0 112.364 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -142.01 171.67 13.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -90.97 173.62 7.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.408 ' CD2' ' O ' ' A' ' 20' ' ' TRP . 30.4 p-90 -111.22 126.71 55.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.9 mtm -145.89 149.97 35.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 t0 69.55 51.26 0.48 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.37 37.46 18.57 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.485 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -173.31 177.14 2.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -93.75 169.13 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -106.12 -38.04 6.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.4 p -73.01 -50.73 21.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.7 p -106.95 -31.98 8.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.4 m 59.71 47.37 10.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -79.76 131.62 35.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 mp -82.29 50.49 1.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.463 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 43.7 mt-10 -124.53 167.15 14.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -75.43 -64.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 mt -107.02 42.18 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.463 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -40.01 119.05 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 37' ' ' GLY . 10.5 m -68.65 153.11 44.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.426 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -37.94 149.89 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 27.1 p -106.59 -39.05 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.79 138.26 41.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -83.48 136.7 34.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.968 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.563 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 46.6 p90 -47.55 159.37 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -110.32 90.33 9.87 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.655 0.74 . . . . 0.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -49.66 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.343 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.7 t -61.01 -30.9 70.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -107.04 44.07 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -81.84 175.64 10.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -110.23 154.85 22.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.2 m -56.05 97.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -84.54 -45.48 12.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.3 tptm -122.93 132.83 24.25 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.605 0.717 . . . . 0.0 110.857 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -178.16 2.22 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.61 159.16 31.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.668 0.747 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 166.1 28.73 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.24 . . . . 0.0 112.329 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 175.89 7.51 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.2 p -56.97 149.84 42.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.576 0.703 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 86.23 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.268 . . . . 0.0 112.334 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -93.92 122.97 36.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -40.43 101.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -141.59 134.7 29.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -98.64 -47.91 5.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.449 ' N ' ' CD ' ' A' ' 62' ' ' PRO . 15.1 tpp180 59.05 53.53 4.6 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.449 ' CD ' ' N ' ' A' ' 61' ' ' ARG . 53.6 Cg_endo -69.73 159.2 54.3 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.682 2.254 . . . . 0.0 112.355 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mp -125.73 80.28 1.89 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 6.6 t-105 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.908 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -163.79 115.06 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.887 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -103.17 -45.74 4.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.88 -159.44 21.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.438 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t 62.31 42.66 9.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.869 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -42.55 159.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.7 121.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -130.41 131.15 45.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.81 0.338 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -79.35 162.09 25.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.0 p -55.71 -49.15 73.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 mp -89.6 139.35 30.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.456 HG12 ' H ' ' A' ' 12' ' ' VAL . 0.8 OUTLIER -66.02 132.58 94.65 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.645 0.736 . . . . 0.0 111.122 179.85 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.576 ' HG2' ' CD1' ' A' ' 41' ' ' TYR . 53.4 Cg_endo -69.76 113.72 3.47 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.318 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 48.9 mttt -106.81 175.64 5.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.402 ' CD1' ' O ' ' A' ' 39' ' ' ALA . 52.9 p90 -153.04 169.07 23.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.461 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 63.1 m-70 -112.93 100.06 50.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 16' ' ' HIS . 53.9 Cg_endo -69.81 -1.05 7.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.318 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -129.51 -175.59 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -93.53 171.56 8.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 25' ' ' TRP . 19.3 t90 -124.63 100.19 6.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 23' ' ' GLY . 30.1 mtt -80.27 144.4 32.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' MET . 1.7 m-20 -34.37 -33.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 21' ' ' MET . . . -72.51 -58.15 5.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -174.23 177.83 2.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 20' ' ' TRP . 84.8 m95 -73.71 159.0 33.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -101.15 -23.23 14.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.824 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.4 p -88.5 -47.25 8.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.466 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.7 p -110.2 -26.62 9.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.1 p 49.87 44.99 25.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -70.24 171.82 9.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.9 mt -86.5 -43.21 12.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.569 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 75.4 mm-40 -57.48 147.2 27.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.481 ' O ' ' CZ2' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -73.96 -56.1 5.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.705 ' H ' HD23 ' A' ' 34' ' ' LEU . 1.6 pt? -96.94 34.84 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.569 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -47.92 147.96 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' GLY . 24.4 m -76.54 153.09 35.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.432 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -37.29 150.4 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.489 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 30.5 p -108.29 -41.97 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.402 ' O ' ' CD1' ' A' ' 15' ' ' TYR . . . -74.31 123.55 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.112 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -76.1 145.73 39.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.576 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 7.6 p90 -70.17 159.65 33.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.425 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 4.5 p-10 -102.86 95.95 7.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.631 0.729 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 53.2 Cg_endo -69.8 -33.05 17.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.238 . . . . 0.0 112.324 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.2 t -159.72 132.72 6.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -115.58 -46.51 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -82.49 137.36 34.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.91 114.56 0.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.8 t -150.76 106.87 3.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -131.53 136.21 47.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.51 149.47 71.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.723 . . . . 0.0 110.894 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 134.31 27.66 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.685 2.256 . . . . 0.0 112.337 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.9 mt -154.2 143.73 15.19 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.577 0.703 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 136.6 33.53 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.682 2.255 . . . . 0.0 112.393 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 142.64 48.58 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.675 2.25 . . . . 0.0 112.367 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.8 p -132.79 143.55 49.15 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.572 0.701 . . . . 0.0 111.16 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 178.48 4.53 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.681 2.254 . . . . 0.0 112.396 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -115.15 -69.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -169.56 174.28 5.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -170.08 112.47 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.2 ttp85 -173.45 155.41 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -163.14 121.87 1.32 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.586 0.707 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 166.4 27.65 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.663 2.242 . . . . 0.0 112.326 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -94.89 -58.95 2.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.842 179.916 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -106.98 172.26 6.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -128.43 144.2 51.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.824 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.76 158.85 22.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.455 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -77.29 112.15 13.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.852 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.2 p -118.66 116.55 26.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.69 178.76 3.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -82.0 -59.82 2.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -133.76 163.4 29.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 11' ' ' LEU . 12.8 t -132.05 126.19 33.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.705 ' H ' HD12 ' A' ' 11' ' ' LEU . 5.2 mp -36.76 107.57 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.539 HG23 ' HD2' ' A' ' 13' ' ' PRO . 12.5 p -35.93 137.09 0.48 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.681 0.753 . . . . 0.0 111.089 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.539 ' HD2' HG23 ' A' ' 12' ' ' VAL . 53.8 Cg_endo -69.75 119.21 6.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -110.67 173.51 6.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -148.21 166.96 26.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.715 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 85.8 m-70 -110.86 105.58 57.21 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.583 0.706 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 2.88 3.15 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.355 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -134.88 177.79 7.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -96.45 173.12 7.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.9 p90 -103.94 135.3 45.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.3 mtt -157.02 156.99 33.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.64 35.98 19.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.37 36.68 93.44 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.463 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 pttp -171.12 -174.96 1.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.743 0.306 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.715 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 82.2 m95 -96.88 164.35 12.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.936 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -103.3 -31.52 10.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -75.59 -46.33 32.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 p -109.18 -43.26 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m 73.92 45.94 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -81.03 140.57 35.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 32' ' ' GLU . 3.9 pp -59.25 -41.01 87.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.673 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 56.7 mm-40 -50.8 124.83 11.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -49.74 -60.76 2.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.9 mt -101.2 41.61 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.673 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -46.24 141.97 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.9 m -71.14 152.79 43.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.27 150.24 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 25.9 p -107.8 -37.17 6.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 110.838 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.16 120.73 26.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -57.28 135.92 56.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.49 ' CD2' ' HG2' ' A' ' 13' ' ' PRO . 10.0 p90 -50.66 174.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -131.87 123.92 19.4 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.575 0.702 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -51.11 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.258 . . . . 0.0 112.343 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.2 p -63.17 -48.5 78.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -41.12 106.01 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -49.25 114.09 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -172.39 138.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -76.48 110.75 11.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.5 100.69 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -46.03 154.25 0.61 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.532 0.682 . . . . 0.0 110.954 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -179.75 3.16 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.677 2.252 . . . . 0.0 112.338 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.794 HD13 ' H ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -101.81 155.72 36.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.613 0.721 . . . . 0.0 110.919 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 143.14 49.96 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 177.4 5.65 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.661 2.24 . . . . 0.0 112.362 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.4 p -117.45 152.77 49.84 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.585 0.707 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 2.84 3.16 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.73 2.287 . . . . 0.0 112.313 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -110.08 93.71 4.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -92.7 -56.96 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 60' ' ' ARG . 3.6 t-20 -133.91 176.85 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 59' ' ' ASN . 25.9 mtm180 -36.14 124.98 0.77 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.49 152.41 71.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.624 0.726 . . . . 0.0 110.844 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -172.66 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.332 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.819 ' H ' HD23 ' A' ' 63' ' ' LEU . 1.2 pt? -75.05 60.74 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.497 ' CD1' ' C ' ' A' ' 63' ' ' LEU . 47.0 p-90 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.2 m -102.97 140.77 36.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.83 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.1 m -155.83 151.17 26.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.83 112.31 1.39 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 t -70.19 116.81 10.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -105.33 109.73 21.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.3 141.22 12.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -118.65 98.71 6.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.852 0.358 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -80.62 127.76 32.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.0 m -93.62 91.04 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.4 tp -168.41 147.76 4.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.43 131.59 93.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.669 0.747 . . . . 0.0 111.132 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 104.74 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.256 . . . . 0.0 112.317 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 84.8 mttt -98.18 177.57 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -163.58 170.79 16.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.661 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 63.5 m-70 -114.4 102.12 54.63 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.582 0.705 . . . . 0.0 110.84 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 3.05 2.99 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.261 . . . . 0.0 112.33 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.437 ' CG ' ' HB2' ' A' ' 26' ' ' ARG . 2.0 t-20 -128.98 -179.76 5.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CE1' ' HG3' ' A' ' 26' ' ' ARG . 2.3 p90 -97.29 141.08 30.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 29.4 p-90 -89.88 118.18 29.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.515 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.1 mtt -94.27 136.48 34.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -40.02 91.32 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 21' ' ' MET . . . 142.86 -38.12 1.46 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -174.95 175.66 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.785 0.326 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.661 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 73.5 m95 -90.72 178.68 6.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.568 ' HG3' ' CE1' ' A' ' 19' ' ' PHE . 23.1 mmm180 -110.57 -40.27 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 p -71.57 -42.3 67.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.2 p -115.07 -29.37 6.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 p 55.66 39.58 30.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -64.67 153.85 38.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.737 ' H ' HD23 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -89.09 45.91 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 54.4 mt-10 -147.4 122.25 9.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -53.21 -58.14 8.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 34' ' ' LEU . 4.3 pp -86.06 26.93 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 32' ' ' GLU . . . -44.3 153.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.086 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 37' ' ' GLY . 3.3 m -94.03 144.23 25.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.1 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -34.27 143.95 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.471 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 30.1 p -103.52 -45.88 4.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.23 153.47 42.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -109.88 124.82 52.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -46.43 159.48 0.09 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.01 83.0 9.11 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.593 0.711 . . . . 0.0 110.837 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -50.91 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.317 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.3 p -69.17 -43.46 74.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? 50.4 45.56 26.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -155.54 146.97 22.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.98 158.92 34.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.4 p -42.84 108.75 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -113.03 137.18 51.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -70.0 144.18 92.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.543 0.687 . . . . 0.0 110.886 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 134.31 27.62 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.704 2.269 . . . . 0.0 112.307 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -124.2 153.77 68.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 110.911 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.574 ' N ' HD12 ' A' ' 52' ' ' LEU . 54.1 Cg_endo -69.72 110.32 2.52 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.714 2.276 . . . . 0.0 112.328 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -178.46 2.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.69 2.26 . . . . 0.0 112.296 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.2 p -84.42 151.46 59.24 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.562 0.696 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 101.32 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.712 2.274 . . . . 0.0 112.369 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -52.73 -176.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -138.48 151.37 47.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -151.49 139.61 20.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -169.06 141.96 2.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.541 ' O ' HD12 ' A' ' 63' ' ' LEU . 6.7 ptp85 -87.2 150.28 49.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.508 ' C ' HD12 ' A' ' 63' ' ' LEU . 53.7 Cg_endo -69.81 146.23 59.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.336 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.541 HD12 ' O ' ' A' ' 61' ' ' ARG . 6.8 mp -129.34 84.09 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.497 ' C ' ' CD1' ' A' ' 64' ' ' TRP . 1.7 t-105 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 t -161.81 130.44 4.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 0.0 110.895 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 p -95.54 -29.99 14.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.843 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.02 -177.94 3.84 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.475 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 t -150.16 107.48 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -93.38 145.78 24.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.97 82.23 0.26 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -142.32 152.5 43.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.36 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -60.88 97.23 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.1 t -99.35 138.69 36.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.23 153.17 28.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 12' ' ' VAL . 8.6 p -79.1 123.4 84.91 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.597 0.713 . . . . 0.0 111.151 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 128.09 15.52 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -116.33 -179.79 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -157.53 164.01 37.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.781 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 58.4 m-70 -109.0 97.98 27.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.589 0.709 . . . . 0.0 110.873 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 3.39 2.79 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.276 . . . . 0.0 112.327 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -135.32 178.27 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.435 ' CE1' ' CE ' ' A' ' 21' ' ' MET . 2.3 p90 -97.91 178.15 5.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -107.84 140.31 41.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.435 ' CE ' ' CE1' ' A' ' 19' ' ' PHE . 6.5 mmt -139.06 136.72 35.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.6 t70 61.63 28.36 17.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.86 -11.71 55.86 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.47 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -105.8 -178.61 3.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.789 0.328 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.781 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 77.6 m95 -101.03 166.96 10.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.426 ' NH1' ' HB3' ' A' ' 26' ' ' ARG . 6.0 mmm180 -107.1 -34.93 7.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -77.01 -39.48 50.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.46 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.4 p -116.99 -37.47 3.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m 66.47 51.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.48 ' OE1' ' HB1' ' A' ' 35' ' ' ALA . 65.0 mt-30 -80.38 174.56 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.6 mt -90.77 -57.22 2.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.743 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 43.1 mt-10 -41.26 140.51 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -65.78 -46.65 77.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.58 ' H ' HD23 ' A' ' 34' ' ' LEU . 1.4 pt? -109.86 36.45 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.743 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -51.0 131.66 26.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.4 m -55.23 153.58 6.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -43.59 154.94 0.23 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.543 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.46 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 27.9 p -103.91 -47.12 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.888 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.09 135.74 51.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -88.67 125.97 35.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 43' ' ' PRO . 2.4 p90 -44.08 155.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -104.35 93.25 5.54 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.558 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 53.8 Cg_endo -69.71 -42.25 3.62 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.6 t -56.89 -35.52 69.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -57.35 -54.03 51.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -60.99 -70.08 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.01 178.63 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.9 m -96.39 117.42 30.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.6 tmtp? -112.52 124.71 53.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -56.3 135.26 75.72 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.615 0.721 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 174.54 9.38 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.667 2.245 . . . . 0.0 112.344 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.7 mt -97.32 152.62 38.34 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.732 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 166.09 28.81 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.255 . . . . 0.0 112.324 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 164.59 33.94 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.9 p -89.5 147.87 38.98 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.612 0.72 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -166.31 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.645 2.23 . . . . 0.0 112.346 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -136.03 -178.86 5.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -115.43 168.17 10.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -161.92 175.9 11.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -57.49 -179.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -123.87 120.67 26.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.616 0.722 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -179.74 3.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.322 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.9 mt -105.36 -60.07 1.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 29.0 t90 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.916 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -157.58 150.09 22.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -126.95 -55.09 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.12 -99.53 0.16 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -107.32 174.1 6.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.362 . . . . 0.0 110.873 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.1 p -44.93 123.42 3.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.9 -91.77 0.72 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.462 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -81.91 45.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -48.84 138.53 11.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.6 m -56.78 -48.99 76.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.2 mt -83.41 166.2 18.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.446 ' O ' HG13 ' A' ' 12' ' ' VAL . 7.7 p -99.45 121.84 53.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.598 0.713 . . . . 0.0 111.145 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 112.05 2.99 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.231 . . . . 0.0 112.337 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -102.58 -177.12 3.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -161.05 169.68 22.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.798 ' CD2' ' CH2' ' A' ' 25' ' ' TRP . 65.8 m-70 -114.16 105.86 53.68 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.708 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -8.24 23.11 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.691 2.261 . . . . 0.0 112.325 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -137.82 171.02 15.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.432 ' CE1' ' CE ' ' A' ' 21' ' ' MET . 0.5 OUTLIER -90.22 177.68 6.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 42.2 p-90 -116.71 145.85 43.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.432 ' CE ' ' CE1' ' A' ' 19' ' ' PHE . 13.9 mtm -152.23 160.32 43.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t70 53.62 45.89 27.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.36 42.69 64.8 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -174.49 146.83 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.758 0.313 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.798 ' CH2' ' CD2' ' A' ' 16' ' ' HIS . 80.3 m95 -67.42 169.91 8.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -107.34 -36.7 6.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 p -79.73 -41.9 25.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 p -112.25 -27.96 8.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.7 p 50.64 47.9 23.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -77.66 152.34 33.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.41 ' H ' HD12 ' A' ' 31' ' ' LEU . 5.2 mp -76.16 -41.81 48.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -43.95 134.09 4.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -51.88 -60.74 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.5 mt -100.51 43.94 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -39.6 116.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 37' ' ' GLY . 4.5 m -62.44 156.12 23.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -37.7 144.77 0.16 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 26.9 p -103.62 -43.81 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.861 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.35 154.58 41.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -107.29 139.82 41.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -48.11 175.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.448 ' HB2' ' CB ' ' A' ' 45' ' ' LYS . 2.0 m-20 -142.1 121.69 8.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.595 0.712 . . . . 0.0 110.818 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -8.21 23.02 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.703 2.268 . . . . 0.0 112.351 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.477 HG23 ' N ' ' A' ' 45' ' ' LYS . 8.9 t -111.33 -44.98 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.477 ' N ' HG23 ' A' ' 44' ' ' THR . 5.2 tmtt? -55.41 94.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.5 m120 42.02 41.41 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.2 93.47 3.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.071 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.3 t -125.58 78.76 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? -170.61 107.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -149.93 157.62 37.74 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.611 0.719 . . . . 0.0 110.888 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 -177.89 2.08 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -49.93 142.7 12.83 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.592 0.71 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 124.31 10.98 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.344 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 173.81 10.45 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.7 p -114.39 150.49 43.88 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.59 0.709 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 121.82 8.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -49.32 155.69 0.68 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -102.13 179.19 4.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -40.67 131.54 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 61' ' ' ARG . 28.0 ttt85 -107.11 163.2 13.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 60' ' ' ARG . 30.5 mmm-85 -36.82 155.83 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.621 0.724 . . . . 0.0 110.87 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 143.65 51.55 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.725 2.283 . . . . 0.0 112.334 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 63' ' ' LEU . 2.6 mm? -96.48 -41.85 8.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.428 ' C ' ' O ' ' A' ' 63' ' ' LEU . 59.3 t90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -94.12 -48.43 6.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.921 0.391 . . . . 0.0 110.899 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.3 t -72.91 95.9 2.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.69 155.46 20.12 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -161.13 134.74 6.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.1 p -169.33 119.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.882 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.51 55.97 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -58.14 128.64 38.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -119.23 -51.13 2.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.4 m -133.61 161.63 34.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.5 176.15 2.0 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.552 HG23 ' HD2' ' A' ' 13' ' ' PRO . 9.4 p -52.1 137.35 37.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 111.104 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.552 ' HD2' HG23 ' A' ' 12' ' ' VAL . 53.8 Cg_endo -69.82 102.44 1.04 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.441 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 77.2 mttt -101.56 178.73 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -158.4 168.62 26.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.686 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 74.8 m-70 -111.75 100.61 48.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.595 0.712 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 16' ' ' HIS . 54.0 Cg_endo -69.79 3.07 3.0 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.629 2.219 . . . . 0.0 112.379 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.427 ' CG ' ' HB2' ' A' ' 26' ' ' ARG . 4.2 t-20 -136.67 168.7 19.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -88.77 -177.35 5.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.403 ' C ' ' HG2' ' A' ' 21' ' ' MET . 5.8 t90 -111.45 129.56 55.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' ASP . 2.0 mmt -141.35 171.74 13.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 21' ' ' MET . 6.7 m-20 37.95 47.55 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.66 41.2 42.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.488 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.9 pttm -172.47 159.12 4.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.781 0.324 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.686 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 77.7 m95 -69.43 167.89 15.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.975 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.427 ' HB2' ' CG ' ' A' ' 18' ' ' ASN . 16.4 mmm180 -109.53 -31.78 7.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.4 p -81.76 -42.22 20.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.1 p -112.22 -30.55 7.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.8 m 58.36 43.88 19.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.673 ' OE1' ' HB1' ' A' ' 35' ' ' ALA . 30.2 mt-30 -66.36 -178.46 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 pp -116.15 19.16 15.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -116.59 134.95 54.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.52 -50.22 65.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.651 ' O ' HD12 ' A' ' 34' ' ' LEU . 4.3 pp -104.7 30.89 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.673 ' HB1' ' OE1' ' A' ' 30' ' ' GLN . . . -37.06 129.27 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 m -65.34 150.13 48.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.19 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.441 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -41.35 149.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.456 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 28.7 p -108.75 -34.77 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 0.0 110.884 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.23 123.25 27.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.048 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -82.17 144.96 30.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -56.25 149.37 16.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -109.66 115.41 55.75 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.718 . . . . 0.0 110.894 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -35.45 12.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.685 2.257 . . . . 0.0 112.358 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.5 t -154.57 131.0 10.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.79 -42.98 3.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -52.09 135.29 31.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.08 132.46 19.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.6 t -122.37 166.72 14.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -101.82 96.8 7.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.401 ' HB2' ' HD2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -157.44 163.67 24.1 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.584 0.707 . . . . 0.0 110.881 179.835 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 52' ' ' LEU . 53.6 Cg_endo -69.75 171.48 14.37 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.682 2.255 . . . . 0.0 112.375 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' PRO . 13.0 mt -34.82 144.01 0.21 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 163.01 39.9 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.64 2.226 . . . . 0.0 112.371 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -173.38 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.718 2.278 . . . . 0.0 112.315 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.1 p -76.29 151.46 83.46 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.62 0.724 . . . . 0.0 111.111 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -171.38 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.669 2.246 . . . . 0.0 112.368 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -87.51 151.51 22.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -120.03 122.25 40.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -150.55 149.08 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.8 ttp85 -142.26 128.48 19.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 61' ' ' ARG . 6.9 ttm105 -132.8 138.26 31.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.617 0.722 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 169.3 19.28 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 63' ' ' LEU . 3.6 mm? -101.89 55.54 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 179.883 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -83.56 143.43 30.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.845 0.355 . . . . 0.0 110.858 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.7 m -107.71 -62.07 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.33 -168.86 26.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.4 t -122.15 -45.19 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 0.0 110.903 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -41.27 157.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.57 -162.66 11.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -157.86 144.17 17.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -78.39 167.75 20.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.3 t -98.82 -51.4 3.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.463 ' HG ' ' N ' ' A' ' 12' ' ' VAL . 9.9 tp -102.62 155.8 18.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.463 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 5.4 p -69.79 132.96 88.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.637 0.732 . . . . 0.0 111.12 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.444 ' HD2' HG23 ' A' ' 12' ' ' VAL . 54.4 Cg_endo -69.7 106.2 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.266 . . . . 0.0 112.375 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' HE2' ' CD ' ' A' ' 40' ' ' GLN . 95.9 mttt -101.12 175.49 5.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -155.42 172.46 18.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -116.65 102.67 53.16 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.592 0.711 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -6.57 18.94 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.747 2.298 . . . . 0.0 112.322 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -135.55 175.34 9.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -115.45 160.21 20.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.457 ' O ' ' CG ' ' A' ' 20' ' ' TRP . 15.4 p-90 -91.06 118.5 30.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.11 -63.6 1.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.7 64.7 0.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.49 24.28 1.04 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.416 ' CE ' ' HB2' ' A' ' 29' ' ' SER . 14.9 pttt -166.84 171.5 11.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -74.27 154.75 38.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -101.92 -25.38 13.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -86.93 -45.15 11.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.7 p -108.95 -32.94 7.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.416 ' HB2' ' CE ' ' A' ' 24' ' ' LYS . 24.8 p 57.2 48.05 15.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -81.04 128.98 34.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.58 HD23 ' H ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -44.21 -32.62 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.567 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 8.8 mm-40 -59.51 174.22 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.407 ' NZ ' ' CZ2' ' A' ' 20' ' ' TRP . 6.0 tmtm? -102.95 -52.82 2.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.507 ' H ' HD23 ' A' ' 34' ' ' LEU . 1.3 pt? -106.68 35.79 2.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.567 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -46.46 145.82 1.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 37' ' ' GLY . 3.4 m -72.52 149.39 44.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -33.9 142.29 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.475 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 26.5 p -101.38 -47.79 4.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.856 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.64 138.75 56.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.434 ' CD ' ' HE2' ' A' ' 14' ' ' LYS . 5.5 mp0 -89.71 147.11 24.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.561 ' CD2' ' HD3' ' A' ' 43' ' ' PRO . 39.5 p90 -50.6 167.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.67 97.24 30.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.627 0.727 . . . . 0.0 110.863 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.561 ' HD3' ' CD2' ' A' ' 41' ' ' TYR . 53.9 Cg_endo -69.73 -49.84 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.678 2.252 . . . . 0.0 112.369 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.2 p -65.12 -36.2 83.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -87.06 51.01 2.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.854 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -138.73 162.0 35.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.81 -40.72 9.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.7 t -62.29 -55.39 28.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -77.65 140.56 39.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.964 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.438 ' N ' ' HD2' ' A' ' 49' ' ' LYS . 30.6 tptt -123.45 136.01 26.7 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.416 ' HD2' ' CD ' ' A' ' 50' ' ' LYS . 53.9 Cg_endo -69.72 178.85 4.13 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.691 2.261 . . . . 0.0 112.375 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.897 HD12 ' HD2' ' A' ' 53' ' ' PRO . 1.2 tp -111.26 132.01 21.96 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.622 0.725 . . . . 0.0 110.938 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.897 ' HD2' HD12 ' A' ' 52' ' ' LEU . 53.5 Cg_endo -69.79 112.04 2.98 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.639 2.226 . . . . 0.0 112.358 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -172.32 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.677 2.251 . . . . 0.0 112.312 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.9 p -39.43 153.07 0.19 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.629 0.728 . . . . 0.0 111.115 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 126.93 13.87 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.35 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -115.85 83.95 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -104.64 -47.48 4.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -106.64 162.87 13.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -116.37 152.39 34.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -138.85 142.11 32.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.554 0.692 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -173.19 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.722 2.282 . . . . 0.0 112.303 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.597 HD12 ' N ' ' A' ' 64' ' ' TRP . 4.3 pp -96.5 -41.27 8.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.597 ' N ' HD12 ' A' ' 63' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -161.26 154.45 21.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.896 0.379 . . . . 0.0 110.807 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -122.22 -62.04 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.867 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.06 155.45 26.83 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t -174.79 118.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 110.874 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.9 m -60.2 109.22 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.31 -62.11 0.54 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -66.78 175.85 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -149.53 151.84 34.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.575 ' O ' HD22 ' A' ' 11' ' ' LEU . 4.5 t -73.61 -54.58 7.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 10' ' ' SER . 3.8 mm? -132.1 162.97 29.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.957 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.403 ' CG2' ' HG2' ' A' ' 40' ' ' GLN . 2.5 p -39.28 130.97 1.28 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.676 0.751 . . . . 0.0 111.112 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.62 16.29 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.673 2.249 . . . . 0.0 112.362 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 97.6 mttt -116.85 178.95 4.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -157.41 170.53 22.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.459 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 67.8 m-70 -111.72 100.87 49.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.62 0.724 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 1.8 4.13 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.665 2.244 . . . . 0.0 112.35 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -131.32 -174.25 3.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -101.49 160.25 14.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -100.33 112.13 24.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 23' ' ' GLY . 6.0 mmt -87.95 139.29 30.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -44.19 88.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.84 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 21' ' ' MET . . . 143.15 -38.23 1.42 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.522 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.409 ' NZ ' ' HB3' ' A' ' 29' ' ' SER . 18.8 pttt -175.86 175.32 2.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.736 0.303 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.459 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 75.7 m95 -84.96 171.5 12.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -106.39 -25.53 11.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 p -86.14 -48.28 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 p -107.03 -31.07 8.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 24' ' ' LYS . 50.1 m 62.35 49.0 4.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -88.19 150.92 23.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.4 mt -76.13 -46.4 28.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -38.91 118.3 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -48.86 -55.65 11.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.8 mt -100.57 45.92 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.15 152.91 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 37' ' ' GLY . 2.7 m -94.47 148.67 22.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -33.81 136.66 0.22 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 19.8 p -94.71 -43.08 8.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.839 0.352 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.3 141.46 34.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.068 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.403 ' HG2' ' CG2' ' A' ' 12' ' ' VAL . 52.4 mt-30 -88.31 148.8 24.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.404 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 35.4 p90 -47.52 172.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -103.6 94.6 6.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.628 0.727 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 41' ' ' TYR . 53.4 Cg_endo -69.73 -46.26 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 45' ' ' LYS . 9.7 t -64.04 -43.54 95.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.455 ' N ' HG23 ' A' ' 44' ' ' THR . 18.9 mmmt -94.71 122.47 37.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -82.5 110.86 17.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.88 -61.13 1.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.8 p -76.21 165.0 25.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -109.79 80.77 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.475 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 26.4 ttmt -169.77 139.5 1.64 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.542 0.687 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 50' ' ' LYS . 53.6 Cg_endo -69.76 175.15 8.49 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.699 2.266 . . . . 0.0 112.322 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.58 159.41 31.84 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.605 0.717 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 165.57 30.59 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.304 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 165.62 30.3 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.659 2.239 . . . . 0.0 112.371 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.3 p -45.47 143.03 3.01 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.585 0.707 . . . . 0.0 111.12 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 2.79 3.19 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.714 2.276 . . . . 0.0 112.343 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -169.21 156.58 7.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -71.89 159.89 33.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -54.86 139.46 39.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.7 mtt-85 -114.74 164.65 13.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -54.28 110.85 2.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.625 0.726 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 168.28 22.07 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.275 . . . . 0.0 112.314 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.6 mt -120.42 76.18 1.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 34.9 t-105 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.896 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.1 p -153.59 166.59 32.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -126.96 164.8 20.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.76 -161.67 26.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -161.11 164.66 30.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.863 0.364 . . . . 0.0 110.837 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 t -135.4 166.47 23.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.36 44.87 2.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.508 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -79.15 153.89 29.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -103.67 111.47 23.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 89.3 p -159.92 145.4 15.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -43.23 138.16 2.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.433 HG23 ' H ' ' A' ' 12' ' ' VAL . 2.2 t -59.74 132.18 88.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 111.08 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 96.9 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.49 ' HG2' ' N ' ' A' ' 40' ' ' GLN . 2.0 mtmp? -91.26 -175.49 4.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.417 ' CD1' ' O ' ' A' ' 39' ' ' ALA . 29.3 p90 -155.92 169.16 25.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.469 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 73.5 m-70 -111.19 97.36 34.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.611 0.719 . . . . 0.0 110.856 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 3.24 2.89 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -133.02 -177.33 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -95.6 163.66 13.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.565 ' CZ3' ' HA ' ' A' ' 24' ' ' LYS . 1.7 t-105 -111.92 102.52 10.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.464 ' O ' ' N ' ' A' ' 23' ' ' GLY . 25.7 mmt -77.8 145.76 36.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 21' ' ' MET . 6.3 p-10 -36.28 -31.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 21' ' ' MET . . . -76.15 -57.34 4.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.565 ' HA ' ' CZ3' ' A' ' 20' ' ' TRP . 20.5 pttm -174.64 176.06 2.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.469 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 86.0 m95 -66.48 160.88 24.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -105.41 -24.32 12.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -86.22 -43.52 12.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.0 p -114.6 -25.05 8.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.466 ' HB2' ' CE ' ' A' ' 24' ' ' LYS . 26.1 p 48.27 43.88 19.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.809 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -61.89 -177.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 pp -114.32 24.05 12.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.681 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 9.5 mt-10 -113.76 169.28 9.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -79.85 -59.89 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.4 mt -114.5 39.2 2.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.681 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -39.63 146.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.07 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' GLY . 8.6 m -76.01 156.43 34.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.439 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -37.49 148.54 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.469 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 19.9 p -105.82 -43.87 4.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.432 ' C ' ' HG2' ' A' ' 14' ' ' LYS . . . -72.22 110.74 6.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.49 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 21.5 mt-30 -73.84 137.36 43.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -60.97 177.6 0.31 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -138.1 116.85 9.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -50.45 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.32 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 45' ' ' LYS . 7.2 t -80.37 -36.66 33.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' THR . 10.7 tmtt? 37.27 47.97 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -171.89 148.02 2.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 52.3 36.2 19.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.5 t -86.62 -54.04 4.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.832 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.3 tmmm? -54.5 -55.39 29.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -79.25 134.3 59.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.533 0.683 . . . . 0.0 110.936 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -179.29 2.82 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.35 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.1 mt -87.73 152.25 51.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.721 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 165.11 32.07 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 164.94 32.66 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.28 . . . . 0.0 112.336 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.3 p -106.42 147.26 34.6 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.526 0.679 . . . . 0.0 111.173 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 114.04 3.57 Favored 'Trans proline' 0 C--N 1.34 0.132 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -39.57 -50.24 2.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -41.16 -59.86 1.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -65.19 81.79 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -151.32 129.63 12.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -146.17 121.78 5.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.574 0.702 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.558 ' HB2' ' CD1' ' A' ' 64' ' ' TRP . 53.8 Cg_endo -69.72 -171.34 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.68 2.253 . . . . 0.0 112.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.7 mt -131.51 -52.48 1.01 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.558 ' CD1' ' HB2' ' A' ' 62' ' ' PRO . 72.9 m95 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 t -92.45 139.01 31.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 110.885 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 p -124.16 -14.53 7.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.84 164.32 1.38 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -98.82 89.36 4.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.2 m -101.58 89.74 3.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.16 -161.61 47.38 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -90.13 51.9 2.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -133.22 40.87 3.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 t -132.99 125.03 28.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.48 142.97 27.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 p -81.19 126.57 76.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.619 0.723 . . . . 0.0 111.13 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.485 ' HG2' ' CD1' ' A' ' 41' ' ' TYR . 53.8 Cg_endo -69.8 121.59 8.27 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -112.54 177.69 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 39' ' ' ALA . 30.3 p90 -151.59 169.81 21.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -116.58 107.17 47.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.575 0.703 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -7.63 21.55 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -129.7 -174.91 3.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CE2' ' O ' ' A' ' 20' ' ' TRP . 61.2 t80 -123.43 160.99 25.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.597 ' O ' ' CE3' ' A' ' 20' ' ' TRP . 1.1 t90 -90.93 119.65 31.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 48.8 mtm -127.59 -70.64 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 24' ' ' LYS . 10.2 t70 -68.34 70.26 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.836 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 38.87 26.78 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 22' ' ' ASP . 4.4 pttm -171.46 166.73 6.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.735 0.303 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -76.53 153.31 35.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -101.11 -13.37 18.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.6 p -94.87 -35.62 11.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.9 p -121.59 -38.41 2.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 m 73.41 34.02 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -75.36 143.29 42.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.3 mt -68.42 -43.38 77.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.452 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 59.5 mt-10 -45.38 132.74 7.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -70.87 -45.1 65.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mp -102.21 40.08 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.452 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -55.59 164.22 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.577 HG22 ' N ' ' A' ' 37' ' ' GLY . 20.3 m -106.19 165.53 11.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.577 ' N ' HG22 ' A' ' 36' ' ' THR . . . -37.27 152.91 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.471 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 25.4 p -119.24 -34.98 3.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.869 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.596 ' O ' ' CD1' ' A' ' 15' ' ' TYR . . . -87.58 115.5 25.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -53.46 130.29 35.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.485 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -66.67 -175.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.828 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -104.59 92.6 5.11 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.56 0.695 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 41' ' ' TYR . 54.0 Cg_endo -69.79 -4.42 14.02 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.658 2.239 . . . . 0.0 112.388 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 44' ' ' THR . 14.5 t -159.03 126.97 5.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -159.21 145.47 16.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -91.98 55.63 2.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -173.96 136.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.3 t 52.8 52.91 13.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.823 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -97.48 106.58 18.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -41.39 159.54 0.17 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.573 0.702 . . . . 0.0 110.899 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 150.15 68.03 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.715 2.277 . . . . 0.0 112.336 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -151.15 154.79 34.4 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.589 0.709 . . . . 0.0 110.947 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 168.09 22.61 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.664 2.243 . . . . 0.0 112.326 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 142.58 48.06 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.634 2.223 . . . . 0.0 112.357 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -131.47 148.26 69.38 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.562 0.696 . . . . 0.0 111.146 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 99.27 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.653 2.235 . . . . 0.0 112.355 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.409 ' C ' ' OD1' ' A' ' 58' ' ' ASP . 25.3 mt-10 -80.87 129.48 34.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 57' ' ' GLU . 1.5 p-10 38.28 51.81 1.6 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -98.37 39.13 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.9 mtm105 -79.75 108.03 12.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.458 ' NE ' ' H ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -141.8 153.02 64.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 110.893 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 154.87 67.24 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mp -101.38 52.08 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.947 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 90.6 t90 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.907 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 13' ' ' PRO . 4.8 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.605 0.717 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 12' ' ' VAL . 53.5 Cg_endo -69.74 98.71 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.722 2.282 . . . . 0.0 112.373 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 37.8 mttt -96.16 176.3 6.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -152.0 166.1 32.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -106.65 96.72 14.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.603 0.716 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 3.19 2.91 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -133.0 178.96 6.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -98.87 171.02 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.422 ' CD1' ' C ' ' A' ' 20' ' ' TRP . 1.2 t90 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.1 pttm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.751 0.31 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -65.52 173.02 2.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -109.6 -33.12 6.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.5 p -79.57 -40.02 30.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 p -115.99 -31.84 5.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 m 62.83 45.42 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.43 ' CD ' ' HB1' ' A' ' 35' ' ' ALA . 32.4 mt-30 -71.48 179.47 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.61 27.32 7.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -122.71 139.62 53.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -65.71 -40.32 92.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.8 mt -102.12 25.39 8.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.43 ' HB1' ' CD ' ' A' ' 30' ' ' GLN . . . -42.2 128.21 3.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 37' ' ' GLY . 2.0 m -78.94 147.68 32.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -34.03 147.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.459 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 19.9 p -105.37 -38.81 6.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 0.0 110.847 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.41 120.28 24.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -65.71 144.41 56.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 28.8 p90 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.98 -179.894 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.675 HG13 ' HD2' ' A' ' 13' ' ' PRO . 95.8 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.652 0.739 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.675 ' HD2' HG13 ' A' ' 12' ' ' VAL . 53.6 Cg_endo -69.78 93.9 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.324 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HE2' ' CG ' ' A' ' 40' ' ' GLN . 70.9 mttt -95.24 164.58 12.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.428 ' CD1' ' O ' ' A' ' 39' ' ' ALA . 35.6 p90 -147.03 173.63 12.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -111.41 96.16 30.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 1.57 4.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.354 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -127.94 -174.82 3.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -96.84 165.45 12.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.555 ' HB3' ' CH2' ' A' ' 25' ' ' TRP . 16.6 p90 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.1 pttm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.78 0.324 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.555 ' CH2' ' HB3' ' A' ' 20' ' ' TRP . 71.4 m95 -97.0 166.42 11.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.1 mmm-85 -107.78 -13.75 14.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 p -97.47 -37.4 10.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.6 p -124.85 -26.42 3.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.2 t 56.85 53.28 8.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -83.8 160.62 21.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.08 -36.61 61.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.67 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 55.8 mm-40 -64.73 162.07 16.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -88.51 -50.59 6.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.961 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mp -103.55 26.98 7.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.67 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -41.27 144.91 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 m -62.95 153.98 31.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.442 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -40.55 162.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.462 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 29.0 p -121.51 -33.18 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.428 ' O ' ' CD1' ' A' ' 15' ' ' TYR . . . -84.23 113.24 20.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.467 ' CG ' ' HE2' ' A' ' 14' ' ' LYS . 46.5 mt-30 -64.98 146.53 54.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.8 p90 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 -179.879 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.741 HG23 ' CE2' ' A' ' 41' ' ' TYR . 10.7 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.649 0.737 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 102.96 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.624 2.216 . . . . 0.0 112.389 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -82.72 173.63 11.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -151.31 175.53 12.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.417 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 88.9 m-70 -114.77 100.46 53.41 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.564 0.697 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 2.58 3.4 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -132.86 -175.91 3.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -91.35 171.87 8.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.564 ' HB3' ' CE3' ' A' ' 25' ' ' TRP . 14.6 p-90 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 pttm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.762 0.315 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.564 ' CE3' ' HB3' ' A' ' 20' ' ' TRP . 84.4 m95 -71.59 168.23 18.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -108.88 -30.96 7.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 p -79.67 -46.47 17.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.6 p -109.08 -31.58 7.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 m 60.97 44.74 10.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -73.63 145.77 45.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.813 ' O ' HD12 ' A' ' 31' ' ' LEU . 4.1 pp -81.73 41.58 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -137.77 145.96 43.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.4 ' HB3' HD12 ' A' ' 34' ' ' LEU . 5.8 ttpm? -70.62 -54.13 13.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' A' ' 33' ' ' LYS . 4.4 mp -98.23 39.25 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.454 ' HB3' ' NE1' ' A' ' 25' ' ' TRP . . . -48.65 143.01 5.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.9 m -81.76 151.66 27.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.17 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -38.79 145.47 0.2 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.462 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 25.6 p -108.51 -41.98 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.372 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.49 157.76 37.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -106.04 124.12 49.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.741 ' CE2' HG23 ' A' ' 12' ' ' VAL . 2.3 p90 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.501 HG23 ' HD2' ' A' ' 13' ' ' PRO . 14.2 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.653 0.74 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.501 ' HD2' HG23 ' A' ' 12' ' ' VAL . 53.5 Cg_endo -69.86 110.12 2.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.668 2.246 . . . . 0.0 112.286 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 84.0 mttt -103.86 176.91 5.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -161.28 168.12 24.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 80.3 m-70 -113.25 104.61 55.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.569 0.699 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 16' ' ' HIS . 53.3 Cg_endo -69.82 -5.14 15.54 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -131.9 -176.39 4.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' A' ' 20' ' ' TRP . 78.5 t80 -98.38 168.36 10.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.517 ' HB2' ' CD2' ' A' ' 25' ' ' TRP . 3.6 t90 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.8 pttm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.706 0.289 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.517 ' CD2' ' HB2' ' A' ' 20' ' ' TRP . 76.0 m95 -69.67 162.08 28.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -107.76 -19.46 13.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 p -93.17 -42.9 9.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.5 p -117.92 -17.25 9.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.2 p 40.61 45.29 1.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -64.72 174.26 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.716 ' O ' HD12 ' A' ' 31' ' ' LEU . 4.0 pp -110.26 41.91 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -128.67 175.16 8.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -93.8 -46.96 6.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.453 HD23 ' H ' ' A' ' 34' ' ' LEU . 1.2 pt? -110.56 33.41 4.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -37.85 129.87 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 37' ' ' GLY . 5.0 m -77.62 154.78 31.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.184 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.443 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -36.94 140.95 0.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.469 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 25.7 p -102.75 -39.43 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.24 134.36 44.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -92.38 147.88 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.425 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 6.6 p90 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.552 HG13 ' HD2' ' A' ' 13' ' ' PRO . 90.2 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.617 0.722 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 41' ' ' TYR . 53.4 Cg_endo -69.74 95.54 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.659 2.239 . . . . 0.0 112.332 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 37.0 mttt -96.85 172.7 7.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.452 ' N ' ' HA3' ' A' ' 37' ' ' GLY . 43.0 p90 -152.34 169.7 21.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -110.06 97.97 32.48 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 1.58 4.26 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -133.61 179.54 6.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -101.91 170.17 8.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.1 t90 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.1 pttt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.734 0.302 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -92.17 167.25 12.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.2 mmt85 -106.05 -31.69 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -81.74 -44.43 17.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.467 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 4.6 p -116.22 -21.84 9.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.6 p 47.61 52.96 11.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -83.33 155.1 23.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.8 mt -61.94 -48.56 79.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.654 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 92.8 mt-10 -50.87 129.31 23.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -57.76 -50.73 72.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.7 mt -109.16 39.31 2.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.654 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -42.58 157.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 37' ' ' GLY . 7.3 m -82.9 153.89 24.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.178 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -34.21 144.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.516 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 24.3 p -107.6 -38.4 5.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.56 118.69 19.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.062 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -69.11 141.73 54.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.582 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 21.8 p90 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.549 HG13 ' HD2' ' A' ' 13' ' ' PRO . 41.5 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.618 0.723 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.549 ' HD2' HG13 ' A' ' 12' ' ' VAL . 53.8 Cg_endo -69.78 95.66 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.631 2.221 . . . . 0.0 112.314 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 76.8 mttt -94.88 167.99 11.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -147.89 168.48 22.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.751 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 70.4 m-70 -109.51 99.75 38.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.6 0.714 . . . . 0.0 110.841 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 16' ' ' HIS . 53.9 Cg_endo -69.75 3.08 2.97 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.728 2.286 . . . . 0.0 112.343 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -135.99 -179.13 5.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -101.98 -177.91 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.578 ' O ' ' CE3' ' A' ' 20' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.488 ' N ' ' NE1' ' A' ' 20' ' ' TRP . 13.5 pttt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.715 0.293 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.751 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 75.0 m95 -73.42 163.53 27.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.934 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -106.87 -27.65 10.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 p -85.21 -40.71 16.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 p -115.82 -29.54 6.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.4 p 57.9 42.95 22.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -73.49 132.79 43.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.575 HD23 ' H ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -47.52 -34.82 8.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.717 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 5.7 mm-40 -66.36 151.48 47.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.9 pttm -90.4 -34.03 15.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.5 mt -110.34 28.8 8.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.717 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -53.74 146.78 12.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.065 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 37' ' ' GLY . 3.0 m -75.95 148.26 38.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -33.57 145.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 21.5 p -99.75 -41.9 7.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.73 126.42 29.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 41' ' ' TYR . 5.4 mt-30 -78.14 133.38 37.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 40' ' ' GLN . 1.6 p90 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.739 HG11 ' OE1' ' A' ' 40' ' ' GLN . 5.3 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.637 0.732 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.548 ' HD2' HG23 ' A' ' 12' ' ' VAL . 53.8 Cg_endo -69.75 103.82 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.647 2.231 . . . . 0.0 112.358 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 38.5 mttt -86.29 175.19 8.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -152.31 172.45 16.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 89.6 m-70 -111.51 105.45 56.77 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.613 0.721 . . . . 0.0 110.83 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 16' ' ' HIS . 53.9 Cg_endo -69.74 -2.8 10.77 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.72 2.28 . . . . 0.0 112.3 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -133.11 179.31 6.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -91.9 173.29 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.522 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 19.3 t90 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.4 pttt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.522 ' CE2' ' HB2' ' A' ' 20' ' ' TRP . 91.1 m95 -75.28 148.41 39.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -95.02 -24.74 16.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.7 p -85.33 -47.73 9.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.466 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 3.5 p -115.1 -26.12 7.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.442 ' N ' ' HB2' ' A' ' 25' ' ' TRP . 8.5 p 48.0 47.58 18.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -74.1 134.7 42.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 32' ' ' GLU . 4.0 pp -53.97 -40.39 66.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.489 ' N ' HD12 ' A' ' 31' ' ' LEU . 32.0 mt-10 -56.49 141.35 42.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -71.25 -56.24 6.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.688 HD23 ' H ' ' A' ' 34' ' ' LEU . 1.3 pt? -87.95 29.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -37.76 145.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 37' ' ' GLY . 2.3 m -91.86 153.76 19.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.43 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -35.25 137.47 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 12.9 p -97.64 -42.06 7.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.53 137.03 36.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.739 ' OE1' HG11 ' A' ' 12' ' ' VAL . 36.0 mt-30 -83.98 124.93 31.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 13' ' ' PRO . 15.3 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.604 0.716 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 12' ' ' VAL . 53.9 Cg_endo -69.76 96.86 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.365 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' C ' ' HA3' ' A' ' 37' ' ' GLY . 52.0 mttt -95.76 171.12 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' A' ' 39' ' ' ALA . 22.4 p90 -143.17 170.79 15.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -112.42 95.81 33.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.585 0.707 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 3.17 2.91 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.354 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -141.88 157.69 44.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.435 ' CE1' ' HG3' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -80.82 177.26 9.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.48 ' HB3' ' CE3' ' A' ' 25' ' ' TRP . 8.6 p90 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 pttt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.48 ' CE3' ' HB3' ' A' ' 20' ' ' TRP . 79.0 m95 -90.24 172.01 9.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.435 ' HG3' ' CE1' ' A' ' 19' ' ' PHE . 12.6 mmm180 -107.26 -39.66 5.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.832 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 p -75.29 -38.95 60.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.6 p -116.38 -34.21 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 p 56.9 39.11 29.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -62.71 156.48 23.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.499 HD12 ' N ' ' A' ' 31' ' ' LEU . 3.9 mp -91.11 39.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -130.11 176.95 7.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -107.0 -39.95 5.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 35' ' ' ALA . 4.0 pp -99.6 14.25 30.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -35.03 134.67 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.536 HG22 ' N ' ' A' ' 37' ' ' GLY . 11.3 m -93.17 164.48 13.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.536 ' N ' HG22 ' A' ' 36' ' ' THR . . . -34.82 147.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.469 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 23.3 p -114.07 -35.22 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.842 0.353 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.532 ' O ' ' CD1' ' A' ' 15' ' ' TYR . . . -83.34 113.66 20.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.414 ' CG ' HG11 ' A' ' 12' ' ' VAL . 3.7 tt0 -50.53 142.51 10.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 33.7 p90 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.909 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.563 HG23 ' HD2' ' A' ' 13' ' ' PRO . 9.1 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.63 0.729 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.563 ' HD2' HG23 ' A' ' 12' ' ' VAL . 53.8 Cg_endo -69.76 121.59 8.28 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.705 2.27 . . . . 0.0 112.364 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 77.0 mttt -107.81 175.3 5.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -150.95 169.52 21.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.556 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 70.8 m-70 -113.68 105.85 54.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.632 0.729 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -6.41 18.55 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.725 2.284 . . . . 0.0 112.35 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -135.8 175.55 9.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.17 178.02 5.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 26.7 p90 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.935 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.4 pttm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.749 0.309 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.556 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 80.8 m95 -91.71 169.13 10.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -104.95 -38.46 6.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -76.94 -43.64 34.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.453 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.6 p -109.71 -32.49 7.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 p 52.17 42.02 30.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -64.09 160.11 18.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.9 mt -93.21 39.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.471 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 32.0 mt-10 -131.17 170.71 14.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 5.8 mptt -89.02 -58.89 2.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.68 HD23 ' H ' ' A' ' 34' ' ' LEU . 1.8 pt? -99.91 35.66 1.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -45.89 119.11 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 m -60.84 156.91 16.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.403 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -39.07 147.88 0.13 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.453 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 28.6 p -105.45 -42.15 5.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.55 134.6 39.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.424 HE21 HG11 ' A' ' 12' ' ' VAL . 36.1 mt-30 -80.85 134.86 35.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 3.1 p90 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.457 HG23 ' HE1' ' A' ' 41' ' ' TYR . 11.1 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.641 0.734 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 41' ' ' TYR . 53.2 Cg_endo -69.8 118.61 5.78 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.308 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 91.6 mttt -116.01 169.36 9.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -144.65 173.8 11.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -116.14 102.77 53.68 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.566 0.698 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.07 2.96 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.65 2.234 . . . . 0.0 112.364 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -142.01 171.67 13.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -90.97 173.62 7.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.408 ' CD2' ' O ' ' A' ' 20' ' ' TRP . 30.4 p-90 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.4 pttm . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.818 0.342 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -93.75 169.13 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -106.12 -38.04 6.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.4 p -73.01 -50.73 21.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.7 p -106.95 -31.98 8.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.4 m 59.71 47.37 10.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -79.76 131.62 35.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 mp -82.29 50.49 1.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.463 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 43.7 mt-10 -124.53 167.15 14.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -75.43 -64.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 mt -107.02 42.18 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.463 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -40.01 119.05 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 37' ' ' GLY . 10.5 m -68.65 153.11 44.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.426 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -37.94 149.89 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 27.1 p -106.59 -39.05 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.79 138.26 41.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -83.48 136.7 34.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.968 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.563 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 46.6 p90 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.645 0.736 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.576 ' HG2' ' CD1' ' A' ' 41' ' ' TYR . 53.4 Cg_endo -69.76 113.72 3.47 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.318 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 48.9 mttt -106.81 175.64 5.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.402 ' CD1' ' O ' ' A' ' 39' ' ' ALA . 52.9 p90 -153.04 169.07 23.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.461 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 63.1 m-70 -112.93 100.06 50.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 16' ' ' HIS . 53.9 Cg_endo -69.81 -1.05 7.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.318 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -129.51 -175.59 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -93.53 171.56 8.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 25' ' ' TRP . 19.3 t90 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.3 pttt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.769 0.319 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 20' ' ' TRP . 84.8 m95 -73.71 159.0 33.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -101.15 -23.23 14.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.824 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.4 p -88.5 -47.25 8.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.466 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.7 p -110.2 -26.62 9.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.1 p 49.87 44.99 25.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -70.24 171.82 9.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.9 mt -86.5 -43.21 12.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.569 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 75.4 mm-40 -57.48 147.2 27.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.481 ' O ' ' CZ2' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -73.96 -56.1 5.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.705 HD23 ' H ' ' A' ' 34' ' ' LEU . 1.6 pt? -96.94 34.84 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.569 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -47.92 147.96 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' GLY . 24.4 m -76.54 153.09 35.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.432 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -37.29 150.4 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.489 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 30.5 p -108.29 -41.97 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.402 ' O ' ' CD1' ' A' ' 15' ' ' TYR . . . -74.31 123.55 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.112 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -76.1 145.73 39.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.576 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 7.6 p90 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.539 HG23 ' HD2' ' A' ' 13' ' ' PRO . 12.5 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.681 0.753 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.539 ' HD2' HG23 ' A' ' 12' ' ' VAL . 53.8 Cg_endo -69.75 119.21 6.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -110.67 173.51 6.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -148.21 166.96 26.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.715 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 85.8 m-70 -110.86 105.58 57.21 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.583 0.706 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 2.88 3.15 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.355 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -134.88 177.79 7.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -96.45 173.12 7.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.9 p90 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 pttp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.743 0.306 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.715 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 82.2 m95 -96.88 164.35 12.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.936 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -103.3 -31.52 10.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -75.59 -46.33 32.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 p -109.18 -43.26 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m 73.92 45.94 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -81.03 140.57 35.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 32' ' ' GLU . 3.9 pp -59.25 -41.01 87.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.673 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 56.7 mm-40 -50.8 124.83 11.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -49.74 -60.76 2.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.9 mt -101.2 41.61 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.673 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -46.24 141.97 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.9 m -71.14 152.79 43.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.27 150.24 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 25.9 p -107.8 -37.17 6.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 110.838 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.16 120.73 26.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -57.28 135.92 56.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.49 ' CD2' ' HG2' ' A' ' 13' ' ' PRO . 10.0 p90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.669 0.747 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 104.74 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.256 . . . . 0.0 112.317 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 84.8 mttt -98.18 177.57 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -163.58 170.79 16.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.661 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 63.5 m-70 -114.4 102.12 54.63 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.582 0.705 . . . . 0.0 110.84 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 3.05 2.99 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.261 . . . . 0.0 112.33 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.437 ' CG ' ' HB2' ' A' ' 26' ' ' ARG . 2.0 t-20 -128.98 -179.76 5.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CE1' ' HG3' ' A' ' 26' ' ' ARG . 2.3 p90 -97.29 141.08 30.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 29.4 p-90 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.4 pttt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.785 0.326 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.661 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 73.5 m95 -90.72 178.68 6.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.568 ' HG3' ' CE1' ' A' ' 19' ' ' PHE . 23.1 mmm180 -110.57 -40.27 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 p -71.57 -42.3 67.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.2 p -115.07 -29.37 6.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 p 55.66 39.58 30.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -64.67 153.85 38.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.737 HD23 ' H ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -89.09 45.91 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 54.4 mt-10 -147.4 122.25 9.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -53.21 -58.14 8.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.556 ' O ' HD12 ' A' ' 34' ' ' LEU . 4.3 pp -86.06 26.93 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 32' ' ' GLU . . . -44.3 153.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.086 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 37' ' ' GLY . 3.3 m -94.03 144.23 25.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.1 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -34.27 143.95 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.471 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 30.1 p -103.52 -45.88 4.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.23 153.47 42.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -109.88 124.82 52.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.487 HG21 HE21 ' A' ' 40' ' ' GLN . 8.6 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.597 0.713 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 128.09 15.52 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -116.33 -179.79 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -157.53 164.01 37.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.781 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 58.4 m-70 -109.0 97.98 27.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.589 0.709 . . . . 0.0 110.873 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 3.39 2.79 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.276 . . . . 0.0 112.327 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -135.32 178.27 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -97.91 178.15 5.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.7 pttm . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.789 0.328 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.781 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 77.6 m95 -101.03 166.96 10.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.426 ' NH1' ' HB3' ' A' ' 26' ' ' ARG . 6.0 mmm180 -107.1 -34.93 7.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -77.01 -39.48 50.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.46 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.4 p -116.99 -37.47 3.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m 66.47 51.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.48 ' OE1' ' HB1' ' A' ' 35' ' ' ALA . 65.0 mt-30 -80.38 174.56 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.6 mt -90.77 -57.22 2.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.743 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 43.1 mt-10 -41.26 140.51 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -65.78 -46.65 77.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.58 HD23 ' H ' ' A' ' 34' ' ' LEU . 1.4 pt? -109.86 36.45 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.743 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -51.0 131.66 26.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.4 m -55.23 153.58 6.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -43.59 154.94 0.23 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.543 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.46 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 27.9 p -103.91 -47.12 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.888 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.09 135.74 51.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.487 HE21 HG21 ' A' ' 12' ' ' VAL . 40.9 mt-30 -88.67 125.97 35.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.4 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.901 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 12' ' ' VAL . 7.7 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.598 0.713 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 112.05 2.99 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.231 . . . . 0.0 112.337 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -102.58 -177.12 3.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -161.05 169.68 22.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.798 ' CD2' ' CH2' ' A' ' 25' ' ' TRP . 65.8 m-70 -114.16 105.86 53.68 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.708 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -8.24 23.11 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.691 2.261 . . . . 0.0 112.325 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -137.82 171.02 15.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.22 177.68 6.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 42.2 p-90 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 pttp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.758 0.313 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.798 ' CH2' ' CD2' ' A' ' 16' ' ' HIS . 80.3 m95 -67.42 169.91 8.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -107.34 -36.7 6.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 p -79.73 -41.9 25.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 p -112.25 -27.96 8.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.7 p 50.64 47.9 23.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.408 ' NE2' ' HB1' ' A' ' 35' ' ' ALA . 34.6 mt-30 -77.66 152.34 33.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.41 HD12 ' H ' ' A' ' 31' ' ' LEU . 5.2 mp -76.16 -41.81 48.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -43.95 134.09 4.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -51.88 -60.74 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.5 mt -100.51 43.94 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.408 ' HB1' ' NE2' ' A' ' 30' ' ' GLN . . . -39.6 116.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 37' ' ' GLY . 4.5 m -62.44 156.12 23.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -37.7 144.77 0.16 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 26.9 p -103.62 -43.81 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.861 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.35 154.58 41.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -107.29 139.82 41.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.1 p90 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.874 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.552 HG23 ' HD2' ' A' ' 13' ' ' PRO . 9.4 p . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.602 0.715 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.552 ' HD2' HG23 ' A' ' 12' ' ' VAL . 53.8 Cg_endo -69.82 102.44 1.04 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.441 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 77.2 mttt -101.56 178.73 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -158.4 168.62 26.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.686 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 74.8 m-70 -111.75 100.61 48.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.595 0.712 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 16' ' ' HIS . 54.0 Cg_endo -69.79 3.07 3.0 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.629 2.219 . . . . 0.0 112.379 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.427 ' CG ' ' HB2' ' A' ' 26' ' ' ARG . 4.2 t-20 -136.67 168.7 19.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -88.77 -177.35 5.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 5.8 t90 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.9 pttm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.781 0.324 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.686 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 77.7 m95 -69.43 167.89 15.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.975 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.427 ' HB2' ' CG ' ' A' ' 18' ' ' ASN . 16.4 mmm180 -109.53 -31.78 7.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.4 p -81.76 -42.22 20.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.1 p -112.22 -30.55 7.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.8 m 58.36 43.88 19.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.673 ' OE1' ' HB1' ' A' ' 35' ' ' ALA . 30.2 mt-30 -66.36 -178.46 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 pp -116.15 19.16 15.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -116.59 134.95 54.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.52 -50.22 65.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.651 ' O ' HD12 ' A' ' 34' ' ' LEU . 4.3 pp -104.7 30.89 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.673 ' HB1' ' OE1' ' A' ' 30' ' ' GLN . . . -37.06 129.27 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 m -65.34 150.13 48.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.19 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.441 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -41.35 149.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.456 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 28.7 p -108.75 -34.77 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 0.0 110.884 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.23 123.25 27.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.048 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -82.17 144.96 30.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.1 p90 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.864 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.444 HG23 ' HD2' ' A' ' 13' ' ' PRO . 5.4 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.637 0.732 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.444 ' HD2' HG23 ' A' ' 12' ' ' VAL . 54.4 Cg_endo -69.7 106.2 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.266 . . . . 0.0 112.375 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.434 ' HE2' ' CD ' ' A' ' 40' ' ' GLN . 95.9 mttt -101.12 175.49 5.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -155.42 172.46 18.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -116.65 102.67 53.16 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.592 0.711 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -6.57 18.94 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.747 2.298 . . . . 0.0 112.322 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -135.55 175.34 9.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -115.45 160.21 20.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.457 ' O ' ' CG ' ' A' ' 20' ' ' TRP . 15.4 p-90 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.416 ' CE ' ' HB2' ' A' ' 29' ' ' SER . 14.9 pttt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.829 0.347 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -74.27 154.75 38.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -101.92 -25.38 13.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -86.93 -45.15 11.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.7 p -108.95 -32.94 7.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.416 ' HB2' ' CE ' ' A' ' 24' ' ' LYS . 24.8 p 57.2 48.05 15.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -81.04 128.98 34.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.58 HD23 ' H ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -44.21 -32.62 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.567 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 8.8 mm-40 -59.51 174.22 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.407 ' NZ ' ' CZ2' ' A' ' 20' ' ' TRP . 6.0 tmtm? -102.95 -52.82 2.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.507 HD23 ' H ' ' A' ' 34' ' ' LEU . 1.3 pt? -106.68 35.79 2.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.567 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -46.46 145.82 1.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 37' ' ' GLY . 3.4 m -72.52 149.39 44.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -33.9 142.29 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.475 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 26.5 p -101.38 -47.79 4.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.856 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.64 138.75 56.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.434 ' CD ' ' HE2' ' A' ' 14' ' ' LYS . 5.5 mp0 -89.71 147.11 24.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 39.5 p90 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 -179.914 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.403 ' CG2' ' HG2' ' A' ' 40' ' ' GLN . 2.5 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.676 0.751 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.62 16.29 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.673 2.249 . . . . 0.0 112.362 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 97.6 mttt -116.85 178.95 4.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -157.41 170.53 22.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.459 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 67.8 m-70 -111.72 100.87 49.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.62 0.724 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 1.8 4.13 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.665 2.244 . . . . 0.0 112.35 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -131.32 -174.25 3.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -101.49 160.25 14.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 35.6 t90 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.409 ' NZ ' ' HB3' ' A' ' 29' ' ' SER . 18.8 pttt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.736 0.303 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.459 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 75.7 m95 -84.96 171.5 12.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -106.39 -25.53 11.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 p -86.14 -48.28 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 p -107.03 -31.07 8.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 24' ' ' LYS . 50.1 m 62.35 49.0 4.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -88.19 150.92 23.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.4 mt -76.13 -46.4 28.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -38.91 118.3 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -48.86 -55.65 11.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.8 mt -100.57 45.92 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.15 152.91 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 37' ' ' GLY . 2.7 m -94.47 148.67 22.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -33.81 136.66 0.22 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 19.8 p -94.71 -43.08 8.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.839 0.352 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.3 141.46 34.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.068 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.403 ' HG2' ' CG2' ' A' ' 12' ' ' VAL . 52.4 mt-30 -88.31 148.8 24.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.4 p90 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.857 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.619 0.723 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 96.9 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.49 ' HG2' ' N ' ' A' ' 40' ' ' GLN . 2.0 mtmp? -91.26 -175.49 4.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.417 ' CD1' ' O ' ' A' ' 39' ' ' ALA . 29.3 p90 -155.92 169.16 25.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.469 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 73.5 m-70 -111.19 97.36 34.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.611 0.719 . . . . 0.0 110.856 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 3.24 2.89 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -133.02 -177.33 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -95.6 163.66 13.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.565 ' CZ3' ' HA ' ' A' ' 24' ' ' LYS . 1.7 t-105 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.565 ' HA ' ' CZ3' ' A' ' 20' ' ' TRP . 20.5 pttm . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.749 0.309 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.469 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 86.0 m95 -66.48 160.88 24.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -105.41 -24.32 12.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -86.22 -43.52 12.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.0 p -114.6 -25.05 8.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.466 ' HB2' ' CE ' ' A' ' 24' ' ' LYS . 26.1 p 48.27 43.88 19.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.809 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -61.89 -177.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 pp -114.32 24.05 12.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.681 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 9.5 mt-10 -113.76 169.28 9.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -79.85 -59.89 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.4 mt -114.5 39.2 2.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.681 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -39.63 146.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.07 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' GLY . 8.6 m -76.01 156.43 34.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.439 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -37.49 148.54 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.469 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 19.9 p -105.82 -43.87 4.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.432 ' C ' ' HG2' ' A' ' 14' ' ' LYS . . . -72.22 110.74 6.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.49 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 21.5 mt-30 -73.84 137.36 43.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.1 p90 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.867 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.619 0.723 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.485 ' HG2' ' CD1' ' A' ' 41' ' ' TYR . 53.8 Cg_endo -69.8 121.59 8.27 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -112.54 177.69 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 39' ' ' ALA . 30.3 p90 -151.59 169.81 21.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -116.58 107.17 47.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.575 0.703 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -7.63 21.55 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -129.7 -174.91 3.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CE2' ' O ' ' A' ' 20' ' ' TRP . 61.2 t80 -123.43 160.99 25.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.597 ' O ' ' CE3' ' A' ' 20' ' ' TRP . 1.1 t90 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.4 pttm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.735 0.303 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -76.53 153.31 35.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -101.11 -13.37 18.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.6 p -94.87 -35.62 11.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.9 p -121.59 -38.41 2.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 m 73.41 34.02 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -75.36 143.29 42.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.3 mt -68.42 -43.38 77.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.452 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 59.5 mt-10 -45.38 132.74 7.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -70.87 -45.1 65.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mp -102.21 40.08 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.452 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -55.59 164.22 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.577 HG22 ' N ' ' A' ' 37' ' ' GLY . 20.3 m -106.19 165.53 11.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.577 ' N ' HG22 ' A' ' 36' ' ' THR . . . -37.27 152.91 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.471 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 25.4 p -119.24 -34.98 3.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.869 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.596 ' O ' ' CD1' ' A' ' 15' ' ' TYR . . . -87.58 115.5 25.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -53.46 130.29 35.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.485 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -173.55 174.92 3.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t -161.36 137.06 7.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.67 103.36 0.41 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -142.56 161.04 39.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.358 . . . . 0.0 110.871 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -132.79 148.41 52.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.81 -168.32 19.16 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -114.04 144.67 42.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.367 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.414 ' OD1' ' C ' ' A' ' 9' ' ' ASN . 0.9 OUTLIER -96.01 157.48 15.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.8 p -105.86 -48.42 3.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.781 HD13 ' N ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -123.09 148.64 45.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.945 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.781 ' N ' HD13 ' A' ' 11' ' ' LEU . 4.8 t -35.81 136.37 0.49 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.605 0.717 . . . . 0.0 111.125 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 12' ' ' VAL . 53.5 Cg_endo -69.74 98.71 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.722 2.282 . . . . 0.0 112.373 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 37.8 mttt -96.16 176.3 6.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -152.0 166.1 32.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -106.65 96.72 14.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.603 0.716 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 3.19 2.91 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -133.0 178.96 6.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -98.87 171.02 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.422 ' CD1' ' C ' ' A' ' 20' ' ' TRP . 1.2 t90 -110.24 121.28 44.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.7 mtm -150.19 147.7 28.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.6 t70 71.31 45.89 0.46 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 49.21 35.55 20.06 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -174.76 145.86 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.751 0.31 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -65.52 173.02 2.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -109.6 -33.12 6.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.5 p -79.57 -40.02 30.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 p -115.99 -31.84 5.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 m 62.83 45.42 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.43 ' CD ' ' HB1' ' A' ' 35' ' ' ALA . 32.4 mt-30 -71.48 179.47 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.61 27.32 7.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -122.71 139.62 53.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -65.71 -40.32 92.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.8 mt -102.12 25.39 8.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.43 ' HB1' ' CD ' ' A' ' 30' ' ' GLN . . . -42.2 128.21 3.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 37' ' ' GLY . 2.0 m -78.94 147.68 32.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -34.03 147.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.459 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 19.9 p -105.37 -38.81 6.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 0.0 110.847 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.41 120.28 24.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -65.71 144.41 56.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -48.1 175.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.98 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -125.05 117.37 25.72 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.63 0.728 . . . . 0.0 110.888 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -50.11 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.707 2.271 . . . . 0.0 112.329 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.6 p -72.33 -60.03 2.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -60.33 91.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -169.88 172.52 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -124.09 42.15 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.5 m -158.83 156.78 30.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -139.6 144.03 37.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.455 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 70.7 tttt -125.0 139.33 33.34 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 110.879 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.455 ' HD2' ' CG ' ' A' ' 50' ' ' LYS . 53.8 Cg_endo -69.7 177.51 5.47 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.736 2.291 . . . . 0.0 112.344 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.4 mt -73.16 154.48 90.48 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.6 0.714 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 148.27 65.08 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.718 2.278 . . . . 0.0 112.375 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -173.43 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.638 2.226 . . . . 0.0 112.357 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 37.2 p -106.55 147.29 34.69 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.539 0.685 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 177.77 5.25 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.665 2.243 . . . . 0.0 112.312 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -101.34 -178.49 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' ASN . 3.0 p30 -89.86 -179.2 5.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' ASP . 4.1 m120 -36.27 146.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.2 176.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -170.38 148.39 2.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.592 0.71 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 168.37 21.79 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.684 2.256 . . . . 0.0 112.365 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.751 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -111.58 58.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 15.6 p-90 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.914 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.0 p -171.16 150.9 3.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.932 0.396 . . . . 0.0 110.806 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 t -154.68 153.9 32.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.52 -126.58 2.33 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -152.17 152.17 31.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.36 . . . . 0.0 110.881 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -95.31 154.58 17.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.54 84.24 0.82 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -120.09 167.34 12.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -98.81 100.91 12.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t 42.0 46.69 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 12' ' ' VAL . 7.5 tt -115.53 137.0 52.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.675 HG13 ' HD2' ' A' ' 13' ' ' PRO . 95.8 t -140.95 138.7 18.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.652 0.739 . . . . 0.0 111.094 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.675 ' HD2' HG13 ' A' ' 12' ' ' VAL . 53.6 Cg_endo -69.78 93.9 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.324 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HE2' ' CG ' ' A' ' 40' ' ' GLN . 70.9 mttt -95.24 164.58 12.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.428 ' CD1' ' O ' ' A' ' 39' ' ' ALA . 35.6 p90 -147.03 173.63 12.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -111.41 96.16 30.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 1.57 4.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.354 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -127.94 -174.82 3.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -96.84 165.45 12.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.555 ' HB3' ' CH2' ' A' ' 25' ' ' TRP . 16.6 p90 -116.14 100.15 7.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.3 mmt -64.9 169.37 5.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -75.73 48.48 0.47 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -174.1 -30.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -172.58 -179.58 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.78 0.324 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.555 ' CH2' ' HB3' ' A' ' 20' ' ' TRP . 71.4 m95 -97.0 166.42 11.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.1 mmm-85 -107.78 -13.75 14.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 p -97.47 -37.4 10.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.6 p -124.85 -26.42 3.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.2 t 56.85 53.28 8.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -83.8 160.62 21.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.08 -36.61 61.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.67 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 55.8 mm-40 -64.73 162.07 16.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -88.51 -50.59 6.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.961 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mp -103.55 26.98 7.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.67 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -41.27 144.91 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 m -62.95 153.98 31.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.442 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -40.55 162.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.462 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 29.0 p -121.51 -33.18 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.428 ' O ' ' CD1' ' A' ' 15' ' ' TYR . . . -84.23 113.24 20.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.467 ' CG ' ' HE2' ' A' ' 14' ' ' LYS . 46.5 mt-30 -64.98 146.53 54.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.541 ' CE1' ' HD3' ' A' ' 43' ' ' PRO . 21.8 p90 -50.67 177.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.401 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 6.2 m-20 -136.53 106.14 9.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.577 0.704 . . . . 0.0 110.854 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.541 ' HD3' ' CE1' ' A' ' 41' ' ' TYR . 53.7 Cg_endo -69.79 -44.79 1.85 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.6 t -47.72 -41.44 22.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -39.61 -55.43 1.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 47' ' ' ALA . 42.8 t-20 -125.72 -59.46 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 43' ' ' PRO . . . -34.83 144.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.9 p 50.21 44.45 26.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.0 tttt -63.94 -52.4 59.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -63.29 152.92 83.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.585 0.707 . . . . 0.0 110.894 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 171.23 14.85 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.354 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.2 mt -117.19 149.34 44.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.661 0.743 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 169.76 18.11 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.665 2.244 . . . . 0.0 112.387 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 161.48 45.78 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.341 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.08 159.65 61.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.572 0.701 . . . . 0.0 111.15 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 2.78 3.21 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.677 2.251 . . . . 0.0 112.355 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 58' ' ' ASP . 10.3 mm-40 -47.9 175.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 57' ' ' GLU . 4.9 t70 -34.61 136.69 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -58.83 179.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.9 ptt85 -110.53 -177.04 3.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -117.26 156.25 48.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -179.36 2.88 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.713 2.276 . . . . 0.0 112.308 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 64' ' ' TRP . 3.9 mm? -80.58 43.4 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.447 ' C ' ' O ' ' A' ' 63' ' ' LEU . 8.5 m-90 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 t -89.27 123.18 33.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.874 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 t -118.16 42.14 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -145.81 123.74 1.93 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 4' ' ' GLY . 72.1 m -36.05 -55.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.891 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -52.28 166.27 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.808 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.68 116.51 2.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -128.31 103.5 7.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -120.59 39.98 3.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -119.1 154.32 33.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.52 ' H ' HD23 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -83.76 155.99 22.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.741 HG23 ' CE2' ' A' ' 41' ' ' TYR . 10.7 p -85.16 124.42 72.12 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.649 0.737 . . . . 0.0 111.118 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 102.96 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.624 2.216 . . . . 0.0 112.389 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -82.72 173.63 11.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -151.31 175.53 12.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.417 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 88.9 m-70 -114.77 100.46 53.41 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.564 0.697 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 2.58 3.4 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -132.86 -175.91 3.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -91.35 171.87 8.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.564 ' HB3' ' CE3' ' A' ' 25' ' ' TRP . 14.6 p-90 -126.56 97.17 4.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 22' ' ' ASP . 8.2 mtt -74.75 146.68 41.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 21' ' ' MET . 7.4 p-10 -34.81 -39.91 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.818 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.86 -57.12 10.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -174.4 178.24 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.564 ' CE3' ' HB3' ' A' ' 20' ' ' TRP . 84.4 m95 -71.59 168.23 18.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -108.88 -30.96 7.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 p -79.67 -46.47 17.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.6 p -109.08 -31.58 7.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 m 60.97 44.74 10.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -73.63 145.77 45.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.813 ' O ' HD12 ' A' ' 31' ' ' LEU . 4.1 pp -81.73 41.58 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -137.77 145.96 43.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.4 ' HB3' HD12 ' A' ' 34' ' ' LEU . 5.8 ttpm? -70.62 -54.13 13.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' A' ' 33' ' ' LYS . 4.4 mp -98.23 39.25 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.454 ' HB3' ' NE1' ' A' ' 25' ' ' TRP . . . -48.65 143.01 5.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.9 m -81.76 151.66 27.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.17 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -38.79 145.47 0.2 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.462 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 25.6 p -108.51 -41.98 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.372 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.49 157.76 37.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -106.04 124.12 49.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.741 ' CE2' HG23 ' A' ' 12' ' ' VAL . 2.3 p90 -45.65 165.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.446 ' CB ' ' HE3' ' A' ' 45' ' ' LYS . 20.4 m-20 -118.76 121.58 30.56 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.718 . . . . 0.0 110.852 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -43.72 2.51 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.457 HG23 ' N ' ' A' ' 45' ' ' LYS . 10.2 t -59.34 -43.7 92.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.457 ' N ' HG23 ' A' ' 44' ' ' THR . 36.2 mtmt -80.72 -67.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -166.91 128.68 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.536 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . . . -137.57 134.61 35.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.4 t -112.61 83.2 1.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.416 ' C ' ' HD2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -120.88 -51.72 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.462 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 35.1 ttmt -172.63 139.57 0.95 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.537 0.684 . . . . 0.0 110.928 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 50' ' ' LYS . 53.9 Cg_endo -69.78 168.37 21.78 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 42.5 mt -152.04 153.6 31.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.589 0.709 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 147.7 62.96 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.623 2.215 . . . . 0.0 112.344 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 149.8 67.27 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.656 2.237 . . . . 0.0 112.369 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.3 p -122.26 151.38 58.95 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.574 0.702 . . . . 0.0 111.128 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 57' ' ' GLU . 54.0 Cg_endo -69.74 3.0 3.02 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 56' ' ' PRO . 8.7 mp0 34.8 41.65 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.59 -45.41 2.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -133.35 164.84 26.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -71.98 -61.18 1.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -73.67 143.68 82.22 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.616 0.722 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 152.35 69.38 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.714 2.276 . . . . 0.0 112.345 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.487 ' O ' ' CG ' ' A' ' 64' ' ' TRP . 1.7 pt? -126.18 38.78 4.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.487 ' CG ' ' O ' ' A' ' 63' ' ' LEU . 46.9 p90 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.3 p 43.02 42.19 3.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.818 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.6 m -46.84 166.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.76 -99.32 0.12 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.498 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -56.94 146.13 27.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -78.15 175.17 10.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.857 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.72 -152.25 5.6 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -61.05 167.88 2.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -96.73 -61.54 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.1 m -117.1 45.14 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -124.54 40.23 3.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.501 HG23 ' HD2' ' A' ' 13' ' ' PRO . 14.2 p -150.64 136.76 10.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.653 0.74 . . . . 0.0 111.085 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.501 ' HD2' HG23 ' A' ' 12' ' ' VAL . 53.5 Cg_endo -69.86 110.12 2.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.668 2.246 . . . . 0.0 112.286 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 84.0 mttt -103.86 176.91 5.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -161.28 168.12 24.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 80.3 m-70 -113.25 104.61 55.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.569 0.699 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 16' ' ' HIS . 53.3 Cg_endo -69.82 -5.14 15.54 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -131.9 -176.39 4.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' A' ' 20' ' ' TRP . 78.5 t80 -98.38 168.36 10.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.517 ' HB2' ' CD2' ' A' ' 25' ' ' TRP . 3.6 t90 -112.68 105.47 13.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' GLY . 20.2 mmt -78.64 145.34 34.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 21' ' ' MET . 47.4 m-20 -34.72 -34.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' MET . . . -73.13 -56.34 5.78 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -174.63 178.95 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.706 0.289 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.517 ' CD2' ' HB2' ' A' ' 20' ' ' TRP . 76.0 m95 -69.67 162.08 28.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -107.76 -19.46 13.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 p -93.17 -42.9 9.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.5 p -117.92 -17.25 9.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.2 p 40.61 45.29 1.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -64.72 174.26 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.716 ' O ' HD12 ' A' ' 31' ' ' LEU . 4.0 pp -110.26 41.91 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -128.67 175.16 8.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -93.8 -46.96 6.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.453 HD23 ' H ' ' A' ' 34' ' ' LEU . 1.2 pt? -110.56 33.41 4.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -37.85 129.87 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 37' ' ' GLY . 5.0 m -77.62 154.78 31.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.184 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.443 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -36.94 140.95 0.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.469 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 25.7 p -102.75 -39.43 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.24 134.36 44.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -92.38 147.88 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.425 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 6.6 p90 -47.85 161.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -108.63 122.12 41.19 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.598 0.713 . . . . 0.0 110.832 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -30.7 21.73 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.666 2.244 . . . . 0.0 112.375 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 t -166.99 129.84 1.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -130.61 -33.54 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 47' ' ' ALA . 0.5 OUTLIER -83.22 44.98 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 46' ' ' ASN . . . 34.91 42.97 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.9 m -173.45 146.38 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -94.73 90.46 6.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.34 152.83 28.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.586 0.708 . . . . 0.0 110.885 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 146.23 59.91 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.716 2.278 . . . . 0.0 112.323 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.444 ' CD2' ' HD2' ' A' ' 53' ' ' PRO . 15.6 mt -136.03 159.25 71.75 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.603 0.716 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.444 ' HD2' ' CD2' ' A' ' 52' ' ' LEU . 53.7 Cg_endo -69.73 169.85 17.92 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.36 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 161.98 43.84 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.297 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.3 p -131.27 154.08 81.85 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.626 0.727 . . . . 0.0 111.177 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 57' ' ' GLU . 53.7 Cg_endo -69.77 -177.09 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.662 2.242 . . . . 0.0 112.345 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 56' ' ' PRO . 9.6 tp10 -37.12 122.87 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 59' ' ' ASN . 22.6 t0 -52.35 -55.66 20.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 58' ' ' ASP . 28.6 t-20 -35.22 145.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 73.01 40.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -45.42 152.48 0.65 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.624 0.726 . . . . 0.0 110.841 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 157.61 59.75 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.681 2.254 . . . . 0.0 112.333 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -89.34 37.25 0.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 19.8 m95 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.905 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.2 p 43.6 42.01 3.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 0.0 110.894 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 t -163.47 164.72 24.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.37 145.56 4.15 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -162.59 136.28 6.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.891 0.376 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 m -99.51 -54.15 3.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.7 112.51 0.48 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -139.61 131.48 27.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -124.26 43.81 2.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.1 t -163.43 156.75 19.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.9 tp 51.08 40.52 25.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.552 HG13 ' HD2' ' A' ' 13' ' ' PRO . 90.2 t -84.51 135.91 40.44 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.617 0.722 . . . . 0.0 111.131 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 41' ' ' TYR . 53.4 Cg_endo -69.74 95.54 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.659 2.239 . . . . 0.0 112.332 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 37.0 mttt -96.85 172.7 7.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.452 ' N ' ' HA3' ' A' ' 37' ' ' GLY . 43.0 p90 -152.34 169.7 21.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -110.06 97.97 32.48 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 1.58 4.26 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -133.61 179.54 6.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -101.91 170.17 8.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -102.53 128.0 49.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 48.7 mtm -149.23 164.9 33.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.864 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 50.1 46.23 24.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.07 40.06 50.65 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.1 pttt -174.64 175.64 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.734 0.302 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -92.17 167.25 12.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.2 mmt85 -106.05 -31.69 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -81.74 -44.43 17.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.467 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 4.6 p -116.22 -21.84 9.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.6 p 47.61 52.96 11.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -83.33 155.1 23.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.8 mt -61.94 -48.56 79.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.654 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 92.8 mt-10 -50.87 129.31 23.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -57.76 -50.73 72.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.7 mt -109.16 39.31 2.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.654 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -42.58 157.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 37' ' ' GLY . 7.3 m -82.9 153.89 24.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.178 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -34.21 144.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.516 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 24.3 p -107.6 -38.4 5.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.56 118.69 19.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.062 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -69.11 141.73 54.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.582 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 21.8 p90 -52.04 -177.24 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.405 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 3.5 m-20 -125.23 104.51 28.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.625 0.726 . . . . 0.0 110.815 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 42' ' ' ASP . 53.7 Cg_endo -69.74 2.77 3.22 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.2 t -174.93 129.03 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.122 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.69 -47.25 1.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -124.29 -49.66 1.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.82 168.05 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.064 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 m -161.91 172.73 15.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -166.33 120.44 1.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -127.44 158.43 69.71 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.544 0.687 . . . . 0.0 110.916 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -179.77 3.15 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mp -127.63 151.53 75.37 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.614 0.721 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 168.61 21.09 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.694 2.263 . . . . 0.0 112.331 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 163.13 39.39 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.662 2.242 . . . . 0.0 112.366 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.2 p -129.96 157.51 76.68 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.541 0.686 . . . . 0.0 111.136 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 57' ' ' GLU . 53.9 Cg_endo -69.75 -178.47 2.35 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.655 2.237 . . . . 0.0 112.322 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 56' ' ' PRO . 27.0 mt-10 -34.55 108.39 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.27 176.22 8.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -108.98 130.91 55.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.401 ' HD2' ' C ' ' A' ' 60' ' ' ARG . 1.6 ppt_? -119.58 170.78 8.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.96 146.41 60.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.558 0.694 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 178.24 4.77 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.689 2.259 . . . . 0.0 112.355 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.758 ' H ' HD23 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -95.39 -28.17 15.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.961 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 29.0 m95 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -136.47 164.6 27.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.387 . . . . 0.0 110.849 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -156.32 161.37 40.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.25 -178.91 16.28 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.486 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -96.52 136.38 37.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.381 . . . . 0.0 110.876 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 p -68.77 136.36 52.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.62 -84.63 1.76 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 53.18 41.79 32.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.8 m120 46.63 43.06 12.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.1 p -89.18 161.48 16.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 mp -51.79 178.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.549 HG13 ' HD2' ' A' ' 13' ' ' PRO . 41.5 t -94.07 137.44 22.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 111.098 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.549 ' HD2' HG13 ' A' ' 12' ' ' VAL . 53.8 Cg_endo -69.78 95.66 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.631 2.221 . . . . 0.0 112.314 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 76.8 mttt -94.88 167.99 11.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -147.89 168.48 22.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.751 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 70.4 m-70 -109.51 99.75 38.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.6 0.714 . . . . 0.0 110.841 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 16' ' ' HIS . 53.9 Cg_endo -69.75 3.08 2.97 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.728 2.286 . . . . 0.0 112.343 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -135.99 -179.13 5.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -101.98 -177.91 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.578 ' CE3' ' O ' ' A' ' 20' ' ' TRP . 0.8 OUTLIER -112.08 123.35 50.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 24' ' ' LYS . 8.4 mmt -130.34 176.69 7.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.481 ' C ' ' O ' ' A' ' 21' ' ' MET . 12.4 p-10 31.76 49.41 0.12 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.78 46.32 54.6 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.488 ' N ' ' NE1' ' A' ' 20' ' ' TRP . 13.5 pttt -175.77 164.76 3.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.715 0.293 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.751 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 75.0 m95 -73.42 163.53 27.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.934 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -106.87 -27.65 10.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 p -85.21 -40.71 16.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 p -115.82 -29.54 6.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.4 p 57.9 42.95 22.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -73.49 132.79 43.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.575 ' H ' HD23 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -47.52 -34.82 8.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.717 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 5.7 mm-40 -66.36 151.48 47.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.9 pttm -90.4 -34.03 15.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.5 mt -110.34 28.8 8.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.717 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -53.74 146.78 12.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.065 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 37' ' ' GLY . 3.0 m -75.95 148.26 38.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -33.57 145.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 21.5 p -99.75 -41.9 7.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.73 126.42 29.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 41' ' ' TYR . 5.4 mt-30 -78.14 133.38 37.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 40' ' ' GLN . 1.6 p90 -49.65 -179.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.423 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -116.29 103.07 53.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.588 0.709 . . . . 0.0 110.915 179.877 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 42' ' ' ASP . 54.0 Cg_endo -69.73 -43.52 2.63 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.337 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.9 p -86.87 78.1 9.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 46' ' ' ASN . 3.4 mmmm -132.0 72.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' LYS . 16.3 t-20 37.42 43.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.14 177.2 7.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.8 t -137.41 147.66 45.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -19.87 61.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.442 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 29.8 tttm -161.78 139.65 6.79 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.562 0.696 . . . . 0.0 110.921 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 50' ' ' LYS . 54.4 Cg_endo -69.71 134.04 27.12 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.68 2.254 . . . . 0.0 112.346 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.56 159.38 85.51 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.701 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.74 18.17 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.656 2.237 . . . . 0.0 112.366 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 142.26 47.4 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.349 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.28 160.69 44.74 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.586 0.708 . . . . 0.0 111.1 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 57' ' ' GLU . 53.9 Cg_endo -69.76 -176.67 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.655 2.237 . . . . 0.0 112.387 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 56' ' ' PRO . 1.4 pt-20 -34.34 118.77 0.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 59' ' ' ASN . 20.6 m-20 -126.27 172.62 9.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 58' ' ' ASP . 73.2 m-80 -163.93 145.97 9.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 59' ' ' ASN . 23.6 ptt180 -34.55 139.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.21 138.42 21.81 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 110.858 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -178.7 2.47 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.297 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 64' ' ' TRP . 0.7 OUTLIER -133.97 36.36 3.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.529 ' CD2' ' O ' ' A' ' 64' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 t -168.64 139.57 2.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.923 0.392 . . . . 0.0 110.865 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.4 p -133.67 147.85 51.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.815 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.15 111.03 3.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.3 m -57.12 -50.88 71.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.82 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.6 p -40.11 130.79 2.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.4 85.63 0.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.516 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -105.88 110.3 22.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -44.86 -59.69 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.2 m -50.86 162.83 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.827 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -47.82 176.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.894 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.739 HG11 ' OE1' ' A' ' 40' ' ' GLN . 5.3 p -84.69 135.48 40.44 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.637 0.732 . . . . 0.0 111.13 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.548 ' HD2' HG23 ' A' ' 12' ' ' VAL . 53.8 Cg_endo -69.75 103.82 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.647 2.231 . . . . 0.0 112.358 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 38.5 mttt -86.29 175.19 8.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -152.31 172.45 16.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 89.6 m-70 -111.51 105.45 56.77 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.613 0.721 . . . . 0.0 110.83 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 16' ' ' HIS . 53.9 Cg_endo -69.74 -2.8 10.77 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.72 2.28 . . . . 0.0 112.3 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -133.11 179.31 6.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -91.9 173.29 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.522 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 19.3 t90 -117.92 99.54 6.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.487 ' O ' ' N ' ' A' ' 23' ' ' GLY . 5.4 mmt -74.47 144.83 44.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.853 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 21' ' ' MET . 0.6 OUTLIER -34.42 -33.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 21' ' ' MET . . . -73.93 -58.89 4.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.479 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -175.03 -176.97 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.522 ' CE2' ' HB2' ' A' ' 20' ' ' TRP . 91.1 m95 -75.28 148.41 39.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -95.02 -24.74 16.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.7 p -85.33 -47.73 9.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.466 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 3.5 p -115.1 -26.12 7.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.442 ' N ' ' HB2' ' A' ' 25' ' ' TRP . 8.5 p 48.0 47.58 18.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -74.1 134.7 42.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 32' ' ' GLU . 4.0 pp -53.97 -40.39 66.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.489 ' N ' HD12 ' A' ' 31' ' ' LEU . 32.0 mt-10 -56.49 141.35 42.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -71.25 -56.24 6.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.688 HD23 ' H ' ' A' ' 34' ' ' LEU . 1.3 pt? -87.95 29.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -37.76 145.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 37' ' ' GLY . 2.3 m -91.86 153.76 19.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.43 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -35.25 137.47 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 12.9 p -97.64 -42.06 7.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.53 137.03 36.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.739 ' OE1' HG11 ' A' ' 12' ' ' VAL . 36.0 mt-30 -83.98 124.93 31.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 1.0 OUTLIER -43.21 153.03 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.499 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 67.5 m-20 -125.29 119.4 24.99 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.609 0.719 . . . . 0.0 110.853 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.511 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 54.1 Cg_endo -69.76 -49.52 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.403 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.505 HG23 ' N ' ' A' ' 45' ' ' LYS . 7.6 t -60.89 -47.71 85.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.505 ' N ' HG23 ' A' ' 44' ' ' THR . 0.0 OUTLIER -34.94 -50.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 42' ' ' ASP . 2.2 p30 -101.46 -55.48 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 43' ' ' PRO . . . -68.51 136.93 53.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.1 t -100.73 86.57 3.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -117.94 -56.58 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.486 ' CD ' ' HD2' ' A' ' 51' ' ' PRO . 37.2 mmtt -68.64 159.79 80.04 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.52 0.676 . . . . 0.0 110.889 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.486 ' HD2' ' CD ' ' A' ' 50' ' ' LYS . 53.4 Cg_endo -69.74 134.3 27.7 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.633 2.222 . . . . 0.0 112.395 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 46.5 mt -95.26 154.52 39.45 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.598 0.714 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 169.68 18.35 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 170.64 16.08 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.673 2.249 . . . . 0.0 112.351 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.7 p -109.44 151.32 42.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.572 0.701 . . . . 0.0 111.136 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 2.92 3.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.38 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -110.01 36.73 2.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -77.86 170.43 16.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -87.05 -57.54 2.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.3 ttt-85 -122.49 127.73 49.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.2 ptt85 -140.27 142.93 31.52 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.556 0.693 . . . . 0.0 110.91 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 146.61 60.81 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.694 2.262 . . . . 0.0 112.303 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.8 mt -133.69 76.54 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 13.3 p-90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 179.89 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.445 ' N ' ' HD3' ' A' ' 50' ' ' LYS . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 m -123.18 42.08 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.362 . . . . 0.0 110.845 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.0 p -171.31 174.35 4.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.0 72.1 0.94 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.514 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -112.96 -49.69 2.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.875 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 t -146.06 110.05 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.16 -176.95 42.06 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -108.58 42.72 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.477 ' HB3' ' CD1' ' A' ' 11' ' ' LEU . 53.7 m-80 -157.15 137.28 12.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.544 ' HB2' HG23 ' A' ' 12' ' ' VAL . 38.5 p -97.7 -54.99 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 9' ' ' ASN . 4.9 mp 58.53 44.95 17.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.544 HG23 ' HB2' ' A' ' 10' ' ' SER . 15.3 t -100.58 136.51 19.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.604 0.716 . . . . 0.0 111.129 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 12' ' ' VAL . 53.9 Cg_endo -69.76 96.86 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.365 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' C ' ' HA3' ' A' ' 37' ' ' GLY . 52.0 mttt -95.76 171.12 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' A' ' 39' ' ' ALA . 22.4 p90 -143.17 170.79 15.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -112.42 95.81 33.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.585 0.707 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 3.17 2.91 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.354 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -141.88 157.69 44.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.483 ' CE1' ' CE ' ' A' ' 21' ' ' MET . 0.7 OUTLIER -80.82 177.26 9.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.48 ' HB3' ' CE3' ' A' ' 25' ' ' TRP . 8.6 p90 -119.5 133.66 55.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.483 ' CE ' ' CE1' ' A' ' 19' ' ' PHE . 34.1 mtm -150.28 151.17 32.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.1 t0 67.88 43.08 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.37 39.74 83.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 pttt -173.13 167.59 4.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.48 ' CE3' ' HB3' ' A' ' 20' ' ' TRP . 79.0 m95 -90.24 172.01 9.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.435 ' HG3' ' CE1' ' A' ' 19' ' ' PHE . 12.6 mmm180 -107.26 -39.66 5.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.832 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 p -75.29 -38.95 60.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.6 p -116.38 -34.21 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 p 56.9 39.11 29.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -62.71 156.48 23.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.499 ' N ' HD12 ' A' ' 31' ' ' LEU . 3.9 mp -91.11 39.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -130.11 176.95 7.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -107.0 -39.95 5.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 35' ' ' ALA . 4.0 pp -99.6 14.25 30.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -35.03 134.67 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.536 HG22 ' N ' ' A' ' 37' ' ' GLY . 11.3 m -93.17 164.48 13.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.536 ' N ' HG22 ' A' ' 36' ' ' THR . . . -34.82 147.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.469 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 23.3 p -114.07 -35.22 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.842 0.353 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.532 ' O ' ' CD1' ' A' ' 15' ' ' TYR . . . -83.34 113.66 20.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.414 ' CG ' HG11 ' A' ' 12' ' ' VAL . 3.7 tt0 -50.53 142.51 10.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -48.59 162.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -115.15 106.25 51.54 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.59 0.709 . . . . 0.0 110.837 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -48.91 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.331 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.564 HG23 ' N ' ' A' ' 45' ' ' LYS . 5.8 t -60.28 -52.24 66.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.564 ' N ' HG23 ' A' ' 44' ' ' THR . 17.7 mmmt -34.29 -47.23 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -163.25 125.23 2.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.45 166.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.6 m -132.91 161.17 34.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -87.01 84.59 7.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 1' ' ' GLY . 28.3 mttp -146.58 157.47 48.06 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.575 0.702 . . . . 0.0 110.931 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -175.48 1.17 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.64 2.227 . . . . 0.0 112.331 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.02 158.46 31.75 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 129.73 18.11 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.728 2.285 . . . . 0.0 112.297 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -175.32 1.12 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.721 2.28 . . . . 0.0 112.361 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.9 p -109.05 151.83 42.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 111.134 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -176.35 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.694 2.262 . . . . 0.0 112.336 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -117.97 -175.35 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.85 177.33 8.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -134.1 -174.99 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 62.33 48.31 4.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.847 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -59.04 152.8 48.78 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.588 0.708 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 63' ' ' LEU . 53.7 Cg_endo -69.78 174.63 9.24 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.634 2.223 . . . . 0.0 112.306 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.585 HD12 ' N ' ' A' ' 64' ' ' TRP . 3.3 pp -34.6 -41.71 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.585 ' N ' HD12 ' A' ' 63' ' ' LEU . 67.0 m95 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m 44.93 42.13 5.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.924 0.392 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 t -38.87 -50.52 1.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.97 68.23 0.96 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.506 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.9 p -51.43 158.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -106.22 42.18 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.35 -112.5 4.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -121.93 92.92 3.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -103.49 96.25 6.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 t 53.28 43.22 31.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.7 mt -135.46 147.66 48.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.563 HG23 ' HD2' ' A' ' 13' ' ' PRO . 9.1 p -87.43 137.35 32.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.63 0.729 . . . . 0.0 111.141 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.563 ' HD2' HG23 ' A' ' 12' ' ' VAL . 53.8 Cg_endo -69.76 121.59 8.28 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.705 2.27 . . . . 0.0 112.364 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 77.0 mttt -107.81 175.3 5.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -150.95 169.52 21.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.556 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 70.8 m-70 -113.68 105.85 54.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.632 0.729 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -6.41 18.55 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.725 2.284 . . . . 0.0 112.35 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -135.8 175.55 9.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.47 ' CE1' ' CE ' ' A' ' 21' ' ' MET . 0.3 OUTLIER -94.17 178.02 5.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 26.7 p90 -115.91 139.02 50.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.47 ' CE ' ' CE1' ' A' ' 19' ' ' PHE . 17.7 mtm -154.25 155.15 34.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.7 t70 63.15 40.4 8.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.86 40.77 95.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -174.14 173.09 3.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.749 0.309 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.556 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 80.8 m95 -91.71 169.13 10.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -104.95 -38.46 6.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -76.94 -43.64 34.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.453 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.6 p -109.71 -32.49 7.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 p 52.17 42.02 30.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -64.09 160.11 18.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.9 mt -93.21 39.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.471 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 32.0 mt-10 -131.17 170.71 14.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 5.8 mptt -89.02 -58.89 2.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.68 HD23 ' H ' ' A' ' 34' ' ' LEU . 1.8 pt? -99.91 35.66 1.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.471 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -45.89 119.11 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 m -60.84 156.91 16.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.403 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -39.07 147.88 0.13 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.453 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 28.6 p -105.45 -42.15 5.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.55 134.6 39.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.424 HE21 HG11 ' A' ' 12' ' ' VAL . 36.1 mt-30 -80.85 134.86 35.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.478 ' C ' ' CD1' ' A' ' 41' ' ' TYR . 3.1 p90 -43.69 152.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.481 ' HB2' ' CB ' ' A' ' 45' ' ' LYS . 32.0 m-20 -98.82 116.56 65.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.576 0.703 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -51.25 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.334 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.4 p -64.85 -24.04 67.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.124 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.481 ' CB ' ' HB2' ' A' ' 42' ' ' ASP . 11.3 tppt? -64.66 -44.17 91.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -148.73 111.4 4.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.05 135.68 35.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -173.22 130.23 0.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -60.4 -62.5 1.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.455 ' CD ' ' HD2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -78.74 137.67 58.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.585 0.707 . . . . 0.0 110.891 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.455 ' HD2' ' CD ' ' A' ' 50' ' ' LYS . 53.6 Cg_endo -69.82 134.21 27.33 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.779 HD13 ' H ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -107.16 155.53 39.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.607 0.718 . . . . 0.0 110.872 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 169.33 19.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.362 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 55' ' ' THR . 53.4 Cg_endo -69.72 -171.29 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.264 . . . . 0.0 112.342 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 54' ' ' PRO . 35.2 p -34.27 142.66 0.22 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.606 0.717 . . . . 0.0 111.139 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 172.79 12.0 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.659 2.239 . . . . 0.0 112.323 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.95 37.38 4.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -155.28 -179.41 8.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -61.21 164.74 5.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 61' ' ' ARG . 8.6 tpt180 -79.2 146.56 33.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.449 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.5 OUTLIER -80.54 140.56 51.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.632 0.73 . . . . 0.0 110.852 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 163.68 37.4 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.664 2.242 . . . . 0.0 112.327 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 63' ' ' LEU . 3.8 mp -123.65 78.56 1.62 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 99.4 m95 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.918 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -115.2 156.88 24.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.362 . . . . 0.0 110.879 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 p -114.97 173.63 6.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.91 -123.59 1.46 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.448 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 p -156.44 138.47 14.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 110.825 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.4 p -118.04 175.9 5.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.65 119.5 3.72 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.461 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -157.51 119.54 3.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -96.58 83.17 3.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.1 m -128.79 156.85 42.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.5 mt -42.76 118.01 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.457 HG23 ' HE1' ' A' ' 41' ' ' TYR . 11.1 p -49.22 123.84 13.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.641 0.734 . . . . 0.0 111.181 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 41' ' ' TYR . 53.2 Cg_endo -69.8 118.61 5.78 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.308 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 91.6 mttt -116.01 169.36 9.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -144.65 173.8 11.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -116.14 102.77 53.68 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.566 0.698 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.07 2.96 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.65 2.234 . . . . 0.0 112.364 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -142.01 171.67 13.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -90.97 173.62 7.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.408 ' CD2' ' O ' ' A' ' 20' ' ' TRP . 30.4 p-90 -111.22 126.71 55.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.9 mtm -145.89 149.97 35.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 t0 69.55 51.26 0.48 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.37 37.46 18.57 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.485 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -173.31 177.14 2.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -93.75 169.13 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -106.12 -38.04 6.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.4 p -73.01 -50.73 21.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.7 p -106.95 -31.98 8.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.4 m 59.71 47.37 10.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -79.76 131.62 35.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 mp -82.29 50.49 1.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.463 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 43.7 mt-10 -124.53 167.15 14.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -75.43 -64.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 mt -107.02 42.18 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.463 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -40.01 119.05 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 37' ' ' GLY . 10.5 m -68.65 153.11 44.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.426 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -37.94 149.89 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 27.1 p -106.59 -39.05 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.79 138.26 41.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -83.48 136.7 34.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.968 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.563 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 46.6 p90 -47.55 159.37 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -110.32 90.33 9.87 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.655 0.74 . . . . 0.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -49.66 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.343 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.7 t -61.01 -30.9 70.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -107.04 44.07 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -81.84 175.64 10.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -110.23 154.85 22.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.2 m -56.05 97.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -84.54 -45.48 12.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.3 tptm -122.93 132.83 24.25 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.605 0.717 . . . . 0.0 110.857 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -178.16 2.22 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.61 159.16 31.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.668 0.747 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 166.1 28.73 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.24 . . . . 0.0 112.329 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 175.89 7.51 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.2 p -56.97 149.84 42.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.576 0.703 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 86.23 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.268 . . . . 0.0 112.334 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -93.92 122.97 36.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -40.43 101.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -141.59 134.7 29.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -98.64 -47.91 5.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.449 ' N ' ' CD ' ' A' ' 62' ' ' PRO . 15.1 tpp180 59.05 53.53 4.6 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.449 ' CD ' ' N ' ' A' ' 61' ' ' ARG . 53.6 Cg_endo -69.73 159.2 54.3 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.682 2.254 . . . . 0.0 112.355 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mp -125.73 80.28 1.89 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 6.6 t-105 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.908 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -163.79 115.06 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.887 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -103.17 -45.74 4.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.88 -159.44 21.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.438 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t 62.31 42.66 9.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.869 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -42.55 159.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.7 121.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -130.41 131.15 45.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.81 0.338 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -79.35 162.09 25.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.0 p -55.71 -49.15 73.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 mp -89.6 139.35 30.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.456 HG12 ' H ' ' A' ' 12' ' ' VAL . 0.8 OUTLIER -66.02 132.58 94.65 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.645 0.736 . . . . 0.0 111.122 179.85 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.576 ' HG2' ' CD1' ' A' ' 41' ' ' TYR . 53.4 Cg_endo -69.76 113.72 3.47 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.318 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 48.9 mttt -106.81 175.64 5.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.402 ' CD1' ' O ' ' A' ' 39' ' ' ALA . 52.9 p90 -153.04 169.07 23.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.461 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 63.1 m-70 -112.93 100.06 50.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 16' ' ' HIS . 53.9 Cg_endo -69.81 -1.05 7.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.318 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -129.51 -175.59 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -93.53 171.56 8.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 25' ' ' TRP . 19.3 t90 -124.63 100.19 6.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 23' ' ' GLY . 30.1 mtt -80.27 144.4 32.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' MET . 1.7 m-20 -34.37 -33.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 21' ' ' MET . . . -72.51 -58.15 5.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -174.23 177.83 2.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 20' ' ' TRP . 84.8 m95 -73.71 159.0 33.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -101.15 -23.23 14.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.824 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.4 p -88.5 -47.25 8.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.466 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.7 p -110.2 -26.62 9.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.1 p 49.87 44.99 25.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -70.24 171.82 9.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.9 mt -86.5 -43.21 12.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.569 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 75.4 mm-40 -57.48 147.2 27.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.481 ' O ' ' CZ2' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -73.96 -56.1 5.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.705 HD23 ' H ' ' A' ' 34' ' ' LEU . 1.6 pt? -96.94 34.84 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.569 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -47.92 147.96 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' GLY . 24.4 m -76.54 153.09 35.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.432 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -37.29 150.4 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.489 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 30.5 p -108.29 -41.97 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.402 ' O ' ' CD1' ' A' ' 15' ' ' TYR . . . -74.31 123.55 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.112 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -76.1 145.73 39.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.576 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 7.6 p90 -70.17 159.65 33.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.425 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 4.5 p-10 -102.86 95.95 7.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.631 0.729 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 53.2 Cg_endo -69.8 -33.05 17.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.238 . . . . 0.0 112.324 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.2 t -159.72 132.72 6.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -115.58 -46.51 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -82.49 137.36 34.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.91 114.56 0.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.8 t -150.76 106.87 3.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -131.53 136.21 47.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.51 149.47 71.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.723 . . . . 0.0 110.894 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 134.31 27.66 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.685 2.256 . . . . 0.0 112.337 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.9 mt -154.2 143.73 15.19 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.577 0.703 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 136.6 33.53 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.682 2.255 . . . . 0.0 112.393 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 142.64 48.58 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.675 2.25 . . . . 0.0 112.367 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.8 p -132.79 143.55 49.15 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.572 0.701 . . . . 0.0 111.16 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 178.48 4.53 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.681 2.254 . . . . 0.0 112.396 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -115.15 -69.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -169.56 174.28 5.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -170.08 112.47 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.2 ttp85 -173.45 155.41 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -163.14 121.87 1.32 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.586 0.707 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 166.4 27.65 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.663 2.242 . . . . 0.0 112.326 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -94.89 -58.95 2.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.842 179.916 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -106.98 172.26 6.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -128.43 144.2 51.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.824 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.76 158.85 22.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.455 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -77.29 112.15 13.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.852 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.2 p -118.66 116.55 26.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.69 178.76 3.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -82.0 -59.82 2.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -133.76 163.4 29.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 11' ' ' LEU . 12.8 t -132.05 126.19 33.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.705 ' H ' HD12 ' A' ' 11' ' ' LEU . 5.2 mp -36.76 107.57 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.539 HG23 ' HD2' ' A' ' 13' ' ' PRO . 12.5 p -35.93 137.09 0.48 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.681 0.753 . . . . 0.0 111.089 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.539 ' HD2' HG23 ' A' ' 12' ' ' VAL . 53.8 Cg_endo -69.75 119.21 6.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -110.67 173.51 6.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -148.21 166.96 26.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.715 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 85.8 m-70 -110.86 105.58 57.21 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.583 0.706 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 2.88 3.15 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.355 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -134.88 177.79 7.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -96.45 173.12 7.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.9 p90 -103.94 135.3 45.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.3 mtt -157.02 156.99 33.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.64 35.98 19.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.37 36.68 93.44 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.463 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 pttp -171.12 -174.96 1.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.743 0.306 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.715 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 82.2 m95 -96.88 164.35 12.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.936 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -103.3 -31.52 10.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -75.59 -46.33 32.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 p -109.18 -43.26 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m 73.92 45.94 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -81.03 140.57 35.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 32' ' ' GLU . 3.9 pp -59.25 -41.01 87.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.673 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 56.7 mm-40 -50.8 124.83 11.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -49.74 -60.76 2.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.9 mt -101.2 41.61 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.673 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -46.24 141.97 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.9 m -71.14 152.79 43.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.27 150.24 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 25.9 p -107.8 -37.17 6.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 110.838 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.16 120.73 26.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -57.28 135.92 56.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.49 ' CD2' ' HG2' ' A' ' 13' ' ' PRO . 10.0 p90 -50.66 174.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -131.87 123.92 19.4 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.575 0.702 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -51.11 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.258 . . . . 0.0 112.343 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.2 p -63.17 -48.5 78.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -41.12 106.01 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -49.25 114.09 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -172.39 138.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -76.48 110.75 11.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.5 100.69 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -46.03 154.25 0.61 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.532 0.682 . . . . 0.0 110.954 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -179.75 3.16 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.677 2.252 . . . . 0.0 112.338 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.794 HD13 ' H ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -101.81 155.72 36.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.613 0.721 . . . . 0.0 110.919 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 143.14 49.96 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 177.4 5.65 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.661 2.24 . . . . 0.0 112.362 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.4 p -117.45 152.77 49.84 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.585 0.707 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 2.84 3.16 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.73 2.287 . . . . 0.0 112.313 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -110.08 93.71 4.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -92.7 -56.96 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 60' ' ' ARG . 3.6 t-20 -133.91 176.85 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 59' ' ' ASN . 25.9 mtm180 -36.14 124.98 0.77 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.49 152.41 71.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.624 0.726 . . . . 0.0 110.844 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -172.66 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.332 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.819 HD23 ' H ' ' A' ' 63' ' ' LEU . 1.2 pt? -75.05 60.74 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.497 ' CD1' ' C ' ' A' ' 63' ' ' LEU . 47.0 p-90 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.2 m -102.97 140.77 36.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.83 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.1 m -155.83 151.17 26.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.83 112.31 1.39 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 t -70.19 116.81 10.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -105.33 109.73 21.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.3 141.22 12.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -118.65 98.71 6.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.852 0.358 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -80.62 127.76 32.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.0 m -93.62 91.04 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.4 tp -168.41 147.76 4.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.43 131.59 93.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.669 0.747 . . . . 0.0 111.132 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 104.74 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.256 . . . . 0.0 112.317 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 84.8 mttt -98.18 177.57 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -163.58 170.79 16.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.661 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 63.5 m-70 -114.4 102.12 54.63 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.582 0.705 . . . . 0.0 110.84 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 3.05 2.99 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.261 . . . . 0.0 112.33 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.437 ' CG ' ' HB2' ' A' ' 26' ' ' ARG . 2.0 t-20 -128.98 -179.76 5.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CE1' ' HG3' ' A' ' 26' ' ' ARG . 2.3 p90 -97.29 141.08 30.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 29.4 p-90 -89.88 118.18 29.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.515 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.1 mtt -94.27 136.48 34.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -40.02 91.32 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 21' ' ' MET . . . 142.86 -38.12 1.46 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -174.95 175.66 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.785 0.326 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.661 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 73.5 m95 -90.72 178.68 6.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.568 ' HG3' ' CE1' ' A' ' 19' ' ' PHE . 23.1 mmm180 -110.57 -40.27 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 p -71.57 -42.3 67.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.2 p -115.07 -29.37 6.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 p 55.66 39.58 30.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -64.67 153.85 38.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.737 ' H ' HD23 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -89.09 45.91 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 54.4 mt-10 -147.4 122.25 9.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -53.21 -58.14 8.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.556 ' O ' HD12 ' A' ' 34' ' ' LEU . 4.3 pp -86.06 26.93 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 32' ' ' GLU . . . -44.3 153.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.086 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 37' ' ' GLY . 3.3 m -94.03 144.23 25.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.1 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -34.27 143.95 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.471 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 30.1 p -103.52 -45.88 4.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.23 153.47 42.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -109.88 124.82 52.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -46.43 159.48 0.09 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.01 83.0 9.11 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.593 0.711 . . . . 0.0 110.837 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -50.91 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.317 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.3 p -69.17 -43.46 74.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? 50.4 45.56 26.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -155.54 146.97 22.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.98 158.92 34.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.4 p -42.84 108.75 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -113.03 137.18 51.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -70.0 144.18 92.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.543 0.687 . . . . 0.0 110.886 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 134.31 27.62 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.704 2.269 . . . . 0.0 112.307 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -124.2 153.77 68.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 110.911 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.574 ' N ' HD12 ' A' ' 52' ' ' LEU . 54.1 Cg_endo -69.72 110.32 2.52 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.714 2.276 . . . . 0.0 112.328 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -178.46 2.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.69 2.26 . . . . 0.0 112.296 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.2 p -84.42 151.46 59.24 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.562 0.696 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 101.32 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.712 2.274 . . . . 0.0 112.369 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -52.73 -176.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -138.48 151.37 47.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -151.49 139.61 20.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -169.06 141.96 2.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.541 ' O ' HD12 ' A' ' 63' ' ' LEU . 6.7 ptp85 -87.2 150.28 49.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.508 ' C ' HD12 ' A' ' 63' ' ' LEU . 53.7 Cg_endo -69.81 146.23 59.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.336 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.541 HD12 ' O ' ' A' ' 61' ' ' ARG . 6.8 mp -129.34 84.09 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.497 ' C ' ' CD1' ' A' ' 64' ' ' TRP . 1.7 t-105 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 t -161.81 130.44 4.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 0.0 110.895 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 p -95.54 -29.99 14.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.843 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.02 -177.94 3.84 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.475 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 t -150.16 107.48 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -93.38 145.78 24.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.97 82.23 0.26 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -142.32 152.5 43.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.36 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -60.88 97.23 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.1 t -99.35 138.69 36.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.23 153.17 28.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.487 HG21 HE21 ' A' ' 40' ' ' GLN . 8.6 p -79.1 123.4 84.91 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.597 0.713 . . . . 0.0 111.151 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 128.09 15.52 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -116.33 -179.79 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -157.53 164.01 37.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.781 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 58.4 m-70 -109.0 97.98 27.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.589 0.709 . . . . 0.0 110.873 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 3.39 2.79 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.276 . . . . 0.0 112.327 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -135.32 178.27 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.435 ' CE1' ' CE ' ' A' ' 21' ' ' MET . 2.3 p90 -97.91 178.15 5.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -107.84 140.31 41.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.435 ' CE ' ' CE1' ' A' ' 19' ' ' PHE . 6.5 mmt -139.06 136.72 35.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.6 t70 61.63 28.36 17.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.86 -11.71 55.86 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.47 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -105.8 -178.61 3.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.789 0.328 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.781 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 77.6 m95 -101.03 166.96 10.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.426 ' NH1' ' HB3' ' A' ' 26' ' ' ARG . 6.0 mmm180 -107.1 -34.93 7.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -77.01 -39.48 50.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.46 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.4 p -116.99 -37.47 3.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m 66.47 51.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.48 ' OE1' ' HB1' ' A' ' 35' ' ' ALA . 65.0 mt-30 -80.38 174.56 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.6 mt -90.77 -57.22 2.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.743 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 43.1 mt-10 -41.26 140.51 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -65.78 -46.65 77.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.58 HD23 ' H ' ' A' ' 34' ' ' LEU . 1.4 pt? -109.86 36.45 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.743 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -51.0 131.66 26.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.4 m -55.23 153.58 6.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -43.59 154.94 0.23 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.543 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.46 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 27.9 p -103.91 -47.12 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.888 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.09 135.74 51.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.487 HE21 HG21 ' A' ' 12' ' ' VAL . 40.9 mt-30 -88.67 125.97 35.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 43' ' ' PRO . 2.4 p90 -44.08 155.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -104.35 93.25 5.54 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.558 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 53.8 Cg_endo -69.71 -42.25 3.62 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.6 t -56.89 -35.52 69.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -57.35 -54.03 51.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -60.99 -70.08 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.01 178.63 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.9 m -96.39 117.42 30.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.6 tmtp? -112.52 124.71 53.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -56.3 135.26 75.72 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.615 0.721 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 174.54 9.38 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.667 2.245 . . . . 0.0 112.344 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.7 mt -97.32 152.62 38.34 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.732 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 166.09 28.81 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.255 . . . . 0.0 112.324 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 164.59 33.94 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.9 p -89.5 147.87 38.98 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.612 0.72 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -166.31 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.645 2.23 . . . . 0.0 112.346 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -136.03 -178.86 5.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -115.43 168.17 10.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -161.92 175.9 11.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -57.49 -179.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -123.87 120.67 26.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.616 0.722 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -179.74 3.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.322 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.9 mt -105.36 -60.07 1.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 29.0 t90 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.916 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -157.58 150.09 22.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -126.95 -55.09 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.12 -99.53 0.16 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -107.32 174.1 6.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.362 . . . . 0.0 110.873 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.1 p -44.93 123.42 3.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.9 -91.77 0.72 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.462 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -81.91 45.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -48.84 138.53 11.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.6 m -56.78 -48.99 76.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.2 mt -83.41 166.2 18.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 12' ' ' VAL . 7.7 p -99.45 121.84 53.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.598 0.713 . . . . 0.0 111.145 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 112.05 2.99 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.231 . . . . 0.0 112.337 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -102.58 -177.12 3.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -161.05 169.68 22.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.798 ' CD2' ' CH2' ' A' ' 25' ' ' TRP . 65.8 m-70 -114.16 105.86 53.68 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.708 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -8.24 23.11 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.691 2.261 . . . . 0.0 112.325 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -137.82 171.02 15.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.432 ' CE1' ' CE ' ' A' ' 21' ' ' MET . 0.5 OUTLIER -90.22 177.68 6.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 42.2 p-90 -116.71 145.85 43.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.432 ' CE ' ' CE1' ' A' ' 19' ' ' PHE . 13.9 mtm -152.23 160.32 43.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t70 53.62 45.89 27.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.36 42.69 64.8 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -174.49 146.83 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.758 0.313 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.798 ' CH2' ' CD2' ' A' ' 16' ' ' HIS . 80.3 m95 -67.42 169.91 8.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -107.34 -36.7 6.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 p -79.73 -41.9 25.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 p -112.25 -27.96 8.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.7 p 50.64 47.9 23.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.408 ' NE2' ' HB1' ' A' ' 35' ' ' ALA . 34.6 mt-30 -77.66 152.34 33.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.41 HD12 ' H ' ' A' ' 31' ' ' LEU . 5.2 mp -76.16 -41.81 48.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -43.95 134.09 4.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -51.88 -60.74 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.5 mt -100.51 43.94 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.408 ' HB1' ' NE2' ' A' ' 30' ' ' GLN . . . -39.6 116.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 37' ' ' GLY . 4.5 m -62.44 156.12 23.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -37.7 144.77 0.16 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 26.9 p -103.62 -43.81 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.861 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.35 154.58 41.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -107.29 139.82 41.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -48.11 175.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.448 ' HB2' ' CB ' ' A' ' 45' ' ' LYS . 2.0 m-20 -142.1 121.69 8.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.595 0.712 . . . . 0.0 110.818 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -8.21 23.02 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.703 2.268 . . . . 0.0 112.351 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.477 HG23 ' N ' ' A' ' 45' ' ' LYS . 8.9 t -111.33 -44.98 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.477 ' N ' HG23 ' A' ' 44' ' ' THR . 5.2 tmtt? -55.41 94.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 42.02 41.41 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.2 93.47 3.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.071 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.3 t -125.58 78.76 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? -170.61 107.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -149.93 157.62 37.74 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.611 0.719 . . . . 0.0 110.888 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 -177.89 2.08 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -49.93 142.7 12.83 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.592 0.71 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 124.31 10.98 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.344 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 173.81 10.45 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.7 p -114.39 150.49 43.88 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.59 0.709 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 121.82 8.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -49.32 155.69 0.68 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -102.13 179.19 4.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -40.67 131.54 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 61' ' ' ARG . 28.0 ttt85 -107.11 163.2 13.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 60' ' ' ARG . 30.5 mmm-85 -36.82 155.83 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.621 0.724 . . . . 0.0 110.87 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 143.65 51.55 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.725 2.283 . . . . 0.0 112.334 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 63' ' ' LEU . 2.6 mm? -96.48 -41.85 8.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.428 ' C ' ' O ' ' A' ' 63' ' ' LEU . 59.3 t90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -94.12 -48.43 6.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.921 0.391 . . . . 0.0 110.899 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.3 t -72.91 95.9 2.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.69 155.46 20.12 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -161.13 134.74 6.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.1 p -169.33 119.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.882 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.51 55.97 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -58.14 128.64 38.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -119.23 -51.13 2.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.4 m -133.61 161.63 34.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.5 176.15 2.0 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.552 HG23 ' HD2' ' A' ' 13' ' ' PRO . 9.4 p -52.1 137.35 37.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 111.104 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.552 ' HD2' HG23 ' A' ' 12' ' ' VAL . 53.8 Cg_endo -69.82 102.44 1.04 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.441 ' HB3' ' C ' ' A' ' 37' ' ' GLY . 77.2 mttt -101.56 178.73 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -158.4 168.62 26.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.686 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 74.8 m-70 -111.75 100.61 48.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.595 0.712 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 16' ' ' HIS . 54.0 Cg_endo -69.79 3.07 3.0 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.629 2.219 . . . . 0.0 112.379 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.427 ' CG ' ' HB2' ' A' ' 26' ' ' ARG . 4.2 t-20 -136.67 168.7 19.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -88.77 -177.35 5.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.403 ' C ' ' HG2' ' A' ' 21' ' ' MET . 5.8 t90 -111.45 129.56 55.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' ASP . 2.0 mmt -141.35 171.74 13.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 21' ' ' MET . 6.7 m-20 37.95 47.55 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.66 41.2 42.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.488 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.9 pttm -172.47 159.12 4.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.781 0.324 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.686 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 77.7 m95 -69.43 167.89 15.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.975 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.427 ' HB2' ' CG ' ' A' ' 18' ' ' ASN . 16.4 mmm180 -109.53 -31.78 7.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.4 p -81.76 -42.22 20.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.1 p -112.22 -30.55 7.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.8 m 58.36 43.88 19.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.673 ' OE1' ' HB1' ' A' ' 35' ' ' ALA . 30.2 mt-30 -66.36 -178.46 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 pp -116.15 19.16 15.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -116.59 134.95 54.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.52 -50.22 65.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.651 ' O ' HD12 ' A' ' 34' ' ' LEU . 4.3 pp -104.7 30.89 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.673 ' HB1' ' OE1' ' A' ' 30' ' ' GLN . . . -37.06 129.27 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 m -65.34 150.13 48.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.19 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.441 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -41.35 149.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.456 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 28.7 p -108.75 -34.77 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 0.0 110.884 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.23 123.25 27.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.048 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -82.17 144.96 30.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -56.25 149.37 16.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -109.66 115.41 55.75 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.718 . . . . 0.0 110.894 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -35.45 12.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.685 2.257 . . . . 0.0 112.358 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.5 t -154.57 131.0 10.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.79 -42.98 3.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -52.09 135.29 31.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.08 132.46 19.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.6 t -122.37 166.72 14.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -101.82 96.8 7.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.401 ' HB2' ' HD2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -157.44 163.67 24.1 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.584 0.707 . . . . 0.0 110.881 179.835 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 52' ' ' LEU . 53.6 Cg_endo -69.75 171.48 14.37 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.682 2.255 . . . . 0.0 112.375 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' PRO . 13.0 mt -34.82 144.01 0.21 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 163.01 39.9 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.64 2.226 . . . . 0.0 112.371 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -173.38 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.718 2.278 . . . . 0.0 112.315 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.1 p -76.29 151.46 83.46 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.62 0.724 . . . . 0.0 111.111 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -171.38 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.669 2.246 . . . . 0.0 112.368 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -87.51 151.51 22.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -120.03 122.25 40.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -150.55 149.08 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.8 ttp85 -142.26 128.48 19.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 61' ' ' ARG . 6.9 ttm105 -132.8 138.26 31.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.617 0.722 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 169.3 19.28 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 63' ' ' LEU . 3.6 mm? -101.89 55.54 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 179.883 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -83.56 143.43 30.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.845 0.355 . . . . 0.0 110.858 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.7 m -107.71 -62.07 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.33 -168.86 26.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.4 t -122.15 -45.19 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 0.0 110.903 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -41.27 157.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.57 -162.66 11.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -157.86 144.17 17.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -78.39 167.75 20.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.3 t -98.82 -51.4 3.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.463 ' HG ' ' N ' ' A' ' 12' ' ' VAL . 9.9 tp -102.62 155.8 18.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.463 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 5.4 p -69.79 132.96 88.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.637 0.732 . . . . 0.0 111.12 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.444 ' HD2' HG23 ' A' ' 12' ' ' VAL . 54.4 Cg_endo -69.7 106.2 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.266 . . . . 0.0 112.375 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' HE2' ' CD ' ' A' ' 40' ' ' GLN . 95.9 mttt -101.12 175.49 5.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -155.42 172.46 18.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -116.65 102.67 53.16 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.592 0.711 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -6.57 18.94 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.747 2.298 . . . . 0.0 112.322 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -135.55 175.34 9.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -115.45 160.21 20.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.457 ' O ' ' CG ' ' A' ' 20' ' ' TRP . 15.4 p-90 -91.06 118.5 30.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.11 -63.6 1.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.7 64.7 0.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.49 24.28 1.04 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.416 ' CE ' ' HB2' ' A' ' 29' ' ' SER . 14.9 pttt -166.84 171.5 11.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -74.27 154.75 38.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -101.92 -25.38 13.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -86.93 -45.15 11.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.7 p -108.95 -32.94 7.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.416 ' HB2' ' CE ' ' A' ' 24' ' ' LYS . 24.8 p 57.2 48.05 15.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -81.04 128.98 34.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.58 HD23 ' H ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -44.21 -32.62 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.567 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 8.8 mm-40 -59.51 174.22 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.407 ' NZ ' ' CZ2' ' A' ' 20' ' ' TRP . 6.0 tmtm? -102.95 -52.82 2.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.507 HD23 ' H ' ' A' ' 34' ' ' LEU . 1.3 pt? -106.68 35.79 2.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.567 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -46.46 145.82 1.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 37' ' ' GLY . 3.4 m -72.52 149.39 44.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -33.9 142.29 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.475 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 26.5 p -101.38 -47.79 4.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.856 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.64 138.75 56.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.434 ' CD ' ' HE2' ' A' ' 14' ' ' LYS . 5.5 mp0 -89.71 147.11 24.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.561 ' CD2' ' HD3' ' A' ' 43' ' ' PRO . 39.5 p90 -50.6 167.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.67 97.24 30.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.627 0.727 . . . . 0.0 110.863 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.561 ' HD3' ' CD2' ' A' ' 41' ' ' TYR . 53.9 Cg_endo -69.73 -49.84 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.678 2.252 . . . . 0.0 112.369 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.2 p -65.12 -36.2 83.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -87.06 51.01 2.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.854 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -138.73 162.0 35.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.81 -40.72 9.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.7 t -62.29 -55.39 28.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -77.65 140.56 39.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.964 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.438 ' N ' ' HD2' ' A' ' 49' ' ' LYS . 30.6 tptt -123.45 136.01 26.7 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.416 ' HD2' ' CD ' ' A' ' 50' ' ' LYS . 53.9 Cg_endo -69.72 178.85 4.13 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.691 2.261 . . . . 0.0 112.375 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.897 HD12 ' HD2' ' A' ' 53' ' ' PRO . 1.2 tp -111.26 132.01 21.96 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.622 0.725 . . . . 0.0 110.938 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.897 ' HD2' HD12 ' A' ' 52' ' ' LEU . 53.5 Cg_endo -69.79 112.04 2.98 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.639 2.226 . . . . 0.0 112.358 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -172.32 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.677 2.251 . . . . 0.0 112.312 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.9 p -39.43 153.07 0.19 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.629 0.728 . . . . 0.0 111.115 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 126.93 13.87 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.35 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -115.85 83.95 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -104.64 -47.48 4.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -106.64 162.87 13.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -116.37 152.39 34.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -138.85 142.11 32.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.554 0.692 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -173.19 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.722 2.282 . . . . 0.0 112.303 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.597 HD12 ' N ' ' A' ' 64' ' ' TRP . 4.3 pp -96.5 -41.27 8.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.597 ' N ' HD12 ' A' ' 63' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -161.26 154.45 21.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.896 0.379 . . . . 0.0 110.807 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -122.22 -62.04 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.867 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.06 155.45 26.83 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t -174.79 118.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 110.874 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.9 m -60.2 109.22 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.31 -62.11 0.54 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -66.78 175.85 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -149.53 151.84 34.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.575 ' O ' HD22 ' A' ' 11' ' ' LEU . 4.5 t -73.61 -54.58 7.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 10' ' ' SER . 3.8 mm? -132.1 162.97 29.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.957 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.403 ' CG2' ' HG2' ' A' ' 40' ' ' GLN . 2.5 p -39.28 130.97 1.28 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.676 0.751 . . . . 0.0 111.112 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.62 16.29 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.673 2.249 . . . . 0.0 112.362 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 97.6 mttt -116.85 178.95 4.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -157.41 170.53 22.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.459 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 67.8 m-70 -111.72 100.87 49.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.62 0.724 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 1.8 4.13 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.665 2.244 . . . . 0.0 112.35 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -131.32 -174.25 3.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -101.49 160.25 14.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -100.33 112.13 24.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 23' ' ' GLY . 6.0 mmt -87.95 139.29 30.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -44.19 88.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.84 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 21' ' ' MET . . . 143.15 -38.23 1.42 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.522 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.409 ' NZ ' ' HB3' ' A' ' 29' ' ' SER . 18.8 pttt -175.86 175.32 2.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.736 0.303 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.459 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 75.7 m95 -84.96 171.5 12.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -106.39 -25.53 11.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 p -86.14 -48.28 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 p -107.03 -31.07 8.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 24' ' ' LYS . 50.1 m 62.35 49.0 4.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -88.19 150.92 23.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.4 mt -76.13 -46.4 28.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -38.91 118.3 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -48.86 -55.65 11.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.8 mt -100.57 45.92 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.15 152.91 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 37' ' ' GLY . 2.7 m -94.47 148.67 22.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -33.81 136.66 0.22 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 19.8 p -94.71 -43.08 8.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.839 0.352 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.3 141.46 34.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.068 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.403 ' HG2' ' CG2' ' A' ' 12' ' ' VAL . 52.4 mt-30 -88.31 148.8 24.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.404 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 35.4 p90 -47.52 172.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -103.6 94.6 6.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.628 0.727 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 41' ' ' TYR . 53.4 Cg_endo -69.73 -46.26 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 45' ' ' LYS . 9.7 t -64.04 -43.54 95.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.455 ' N ' HG23 ' A' ' 44' ' ' THR . 18.9 mmmt -94.71 122.47 37.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -82.5 110.86 17.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.88 -61.13 1.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.8 p -76.21 165.0 25.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -109.79 80.77 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.475 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 26.4 ttmt -169.77 139.5 1.64 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.542 0.687 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 50' ' ' LYS . 53.6 Cg_endo -69.76 175.15 8.49 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.699 2.266 . . . . 0.0 112.322 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.58 159.41 31.84 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.605 0.717 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 165.57 30.59 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.304 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 165.62 30.3 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.659 2.239 . . . . 0.0 112.371 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.3 p -45.47 143.03 3.01 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.585 0.707 . . . . 0.0 111.12 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 2.79 3.19 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.714 2.276 . . . . 0.0 112.343 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -169.21 156.58 7.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -71.89 159.89 33.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -54.86 139.46 39.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.7 mtt-85 -114.74 164.65 13.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -54.28 110.85 2.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.625 0.726 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 168.28 22.07 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.275 . . . . 0.0 112.314 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.6 mt -120.42 76.18 1.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 34.9 t-105 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.896 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.1 p -153.59 166.59 32.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -126.96 164.8 20.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.76 -161.67 26.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -161.11 164.66 30.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.863 0.364 . . . . 0.0 110.837 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 t -135.4 166.47 23.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.36 44.87 2.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.508 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -79.15 153.89 29.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -103.67 111.47 23.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 89.3 p -159.92 145.4 15.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -43.23 138.16 2.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.433 ' H ' HG23 ' A' ' 12' ' ' VAL . 2.2 t -59.74 132.18 88.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 111.08 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 96.9 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.49 ' HG2' ' N ' ' A' ' 40' ' ' GLN . 2.0 mtmp? -91.26 -175.49 4.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.417 ' CD1' ' O ' ' A' ' 39' ' ' ALA . 29.3 p90 -155.92 169.16 25.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.469 ' CD2' ' CZ2' ' A' ' 25' ' ' TRP . 73.5 m-70 -111.19 97.36 34.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.611 0.719 . . . . 0.0 110.856 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 3.24 2.89 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -133.02 -177.33 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -95.6 163.66 13.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.565 ' CZ3' ' HA ' ' A' ' 24' ' ' LYS . 1.7 t-105 -111.92 102.52 10.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.464 ' O ' ' N ' ' A' ' 23' ' ' GLY . 25.7 mmt -77.8 145.76 36.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 21' ' ' MET . 6.3 p-10 -36.28 -31.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 21' ' ' MET . . . -76.15 -57.34 4.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.565 ' HA ' ' CZ3' ' A' ' 20' ' ' TRP . 20.5 pttm -174.64 176.06 2.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.469 ' CZ2' ' CD2' ' A' ' 16' ' ' HIS . 86.0 m95 -66.48 160.88 24.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -105.41 -24.32 12.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -86.22 -43.52 12.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.0 p -114.6 -25.05 8.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.466 ' HB2' ' CE ' ' A' ' 24' ' ' LYS . 26.1 p 48.27 43.88 19.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.809 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -61.89 -177.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 pp -114.32 24.05 12.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.681 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 9.5 mt-10 -113.76 169.28 9.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -79.85 -59.89 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.4 mt -114.5 39.2 2.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.681 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -39.63 146.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.07 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' GLY . 8.6 m -76.01 156.43 34.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.439 ' C ' ' HB3' ' A' ' 14' ' ' LYS . . . -37.49 148.54 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.469 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 19.9 p -105.82 -43.87 4.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.432 ' C ' ' HG2' ' A' ' 14' ' ' LYS . . . -72.22 110.74 6.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.49 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 21.5 mt-30 -73.84 137.36 43.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -60.97 177.6 0.31 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -138.1 116.85 9.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -50.45 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.32 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 45' ' ' LYS . 7.2 t -80.37 -36.66 33.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' THR . 10.7 tmtt? 37.27 47.97 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -171.89 148.02 2.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 52.3 36.2 19.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.5 t -86.62 -54.04 4.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.832 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.3 tmmm? -54.5 -55.39 29.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -79.25 134.3 59.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.533 0.683 . . . . 0.0 110.936 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -179.29 2.82 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.35 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.1 mt -87.73 152.25 51.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.721 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 165.11 32.07 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 164.94 32.66 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.28 . . . . 0.0 112.336 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.3 p -106.42 147.26 34.6 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.526 0.679 . . . . 0.0 111.173 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 114.04 3.57 Favored 'Trans proline' 0 C--N 1.34 0.132 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -39.57 -50.24 2.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -41.16 -59.86 1.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -65.19 81.79 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -151.32 129.63 12.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -146.17 121.78 5.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.574 0.702 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.558 ' HB2' ' CD1' ' A' ' 64' ' ' TRP . 53.8 Cg_endo -69.72 -171.34 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.68 2.253 . . . . 0.0 112.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.7 mt -131.51 -52.48 1.01 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.558 ' CD1' ' HB2' ' A' ' 62' ' ' PRO . 72.9 m95 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 t -92.45 139.01 31.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 110.885 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 p -124.16 -14.53 7.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.84 164.32 1.38 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -98.82 89.36 4.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.2 m -101.58 89.74 3.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.16 -161.61 47.38 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -90.13 51.9 2.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -133.22 40.87 3.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 t -132.99 125.03 28.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.48 142.97 27.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 p -81.19 126.57 76.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.619 0.723 . . . . 0.0 111.13 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.485 ' HG2' ' CD1' ' A' ' 41' ' ' TYR . 53.8 Cg_endo -69.8 121.59 8.27 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -112.54 177.69 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 39' ' ' ALA . 30.3 p90 -151.59 169.81 21.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -116.58 107.17 47.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.575 0.703 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -7.63 21.55 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -129.7 -174.91 3.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CE2' ' O ' ' A' ' 20' ' ' TRP . 61.2 t80 -123.43 160.99 25.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.597 ' O ' ' CE3' ' A' ' 20' ' ' TRP . 1.1 t90 -90.93 119.65 31.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 48.8 mtm -127.59 -70.64 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 24' ' ' LYS . 10.2 t70 -68.34 70.26 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.836 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 38.87 26.78 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 22' ' ' ASP . 4.4 pttm -171.46 166.73 6.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.735 0.303 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -76.53 153.31 35.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -101.11 -13.37 18.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.6 p -94.87 -35.62 11.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.9 p -121.59 -38.41 2.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 m 73.41 34.02 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -75.36 143.29 42.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.3 mt -68.42 -43.38 77.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.452 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 59.5 mt-10 -45.38 132.74 7.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -70.87 -45.1 65.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mp -102.21 40.08 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.452 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . . . -55.59 164.22 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.577 HG22 ' N ' ' A' ' 37' ' ' GLY . 20.3 m -106.19 165.53 11.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.577 ' N ' HG22 ' A' ' 36' ' ' THR . . . -37.27 152.91 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.471 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 25.4 p -119.24 -34.98 3.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.869 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.596 ' O ' ' CD1' ' A' ' 15' ' ' TYR . . . -87.58 115.5 25.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -53.46 130.29 35.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.485 ' CD1' ' HG2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -66.67 -175.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.828 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -104.59 92.6 5.11 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.56 0.695 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 41' ' ' TYR . 54.0 Cg_endo -69.79 -4.42 14.02 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.658 2.239 . . . . 0.0 112.388 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 44' ' ' THR . 14.5 t -159.03 126.97 5.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -159.21 145.47 16.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -91.98 55.63 2.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -173.96 136.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.3 t 52.8 52.91 13.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.823 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -97.48 106.58 18.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -41.39 159.54 0.17 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.573 0.702 . . . . 0.0 110.899 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 150.15 68.03 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.715 2.277 . . . . 0.0 112.336 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -151.15 154.79 34.4 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.589 0.709 . . . . 0.0 110.947 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 168.09 22.61 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.664 2.243 . . . . 0.0 112.326 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 142.58 48.06 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.634 2.223 . . . . 0.0 112.357 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -131.47 148.26 69.38 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.562 0.696 . . . . 0.0 111.146 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 99.27 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.653 2.235 . . . . 0.0 112.355 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.409 ' C ' ' OD1' ' A' ' 58' ' ' ASP . 25.3 mt-10 -80.87 129.48 34.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 57' ' ' GLU . 1.5 p-10 38.28 51.81 1.6 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -98.37 39.13 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.9 mtm105 -79.75 108.03 12.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.458 ' H ' ' NE ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -141.8 153.02 64.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 110.893 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 154.87 67.24 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mp -101.38 52.08 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.947 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 90.6 t90 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.907 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_