data_2w9w_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 2w9w _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 4' ' ' CYS . . . . . . . . . . . . . 52.7 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.842 0.353 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.4 m 60.22 75.61 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.4 p -57.99 116.42 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.991 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.27 166.56 34.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.548 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.6 -26.29 28.78 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.621 2.214 . . . . 0.0 112.386 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.1 t -98.22 30.37 3.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.967 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 m -162.14 119.17 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.82 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.7 mtt85 -72.54 -76.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -109.63 -27.03 9.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -172.32 -40.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.8 154.45 40.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.796 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.99 140.51 38.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.0 152.11 14.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.054 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.71 144.69 42.03 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.589 2.193 . . . . 0.0 112.392 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.55 108.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.032 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.7 25.42 4.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.548 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 78.7 m -113.46 109.59 18.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 110.776 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.8 107.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.7 p -75.14 -42.82 55.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -114.37 123.77 50.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -122.54 79.42 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.51 166.78 10.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.17 -31.47 67.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 m -74.38 -33.04 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.92 -170.07 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.6 p -160.58 138.45 9.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -101.98 157.32 16.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -124.64 171.49 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 99.4 m -111.56 125.9 54.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.5 p -96.32 21.64 8.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.076 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.42 27.15 16.3 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.781 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.01 -68.11 0.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.954 0.407 . . . . 0.0 111.023 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.4 t -124.9 169.65 11.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.1 m -79.13 -27.01 42.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -62.12 100.95 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.0 m -59.16 110.1 2.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.63 163.16 1.98 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.437 2.091 . . . . 0.0 112.289 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.6 p -104.16 32.87 3.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -115.45 83.74 11.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.21 -176.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.59 2.193 . . . . 0.0 112.312 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.36 -1.245 . . . . 0.0 112.514 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.886 0.374 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.4 m 61.3 155.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 p -130.78 172.02 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.17 -176.16 23.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.8 -27.71 21.18 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.532 2.155 . . . . 0.0 112.369 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.8 t -72.94 -47.12 48.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.9 p -103.08 135.24 45.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -59.74 -74.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -135.42 6.32 3.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.585 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.5 t -178.8 -50.22 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.797 0.332 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -84.75 136.48 33.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.957 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.77 150.96 21.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -60.06 162.9 8.92 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.06 145.96 90.28 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.627 2.218 . . . . 0.0 112.328 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.14 115.91 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.72 17.59 6.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.681 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.02 172.39 6.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 110.916 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.417 HG21 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -90.85 161.19 15.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.0 p -142.65 -46.81 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -113.82 111.87 22.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -109.79 78.8 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.9 172.46 10.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -92.45 49.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -178.49 -38.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 t -150.3 144.82 25.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -130.09 144.49 51.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -103.48 -177.93 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.417 ' CE2' HG21 ' A' ' 21' ' ' THR . 69.4 m-85 -143.74 165.1 28.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 88.9 m -101.88 130.02 48.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.7 t -95.2 18.36 12.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.4 27.1 24.2 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.71 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 -111.49 -33.94 6.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 0.0 110.958 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -171.44 172.98 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 38.0 m -71.74 -30.94 66.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -60.38 86.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.74 110.84 6.08 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.812 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.431 ' HG2' ' CE1' ' A' ' 42' ' ' TYR . 37.5 Cg_endo -66.18 176.32 4.03 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.37 2.047 . . . . 0.0 112.318 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 t -112.81 69.46 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.439 ' O ' ' CD2' ' A' ' 42' ' ' TYR . 15.2 p90 -114.46 61.1 1.12 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.976 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.55 106.85 0.93 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.554 2.169 . . . . 0.0 112.257 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.423 -1.209 . . . . 0.0 112.514 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.0 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.838 0.351 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.18 85.25 5.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.1 p -57.15 108.76 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.006 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.32 -166.89 16.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.429 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -82.31 48.71 2.89 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.765 2.31 . . . . 0.0 112.682 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER 178.96 36.56 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.827 0.346 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 m -163.24 118.69 1.72 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -125.08 128.84 49.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.688 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 63.42 16.08 9.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.175 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.5 t 78.53 61.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -152.79 110.66 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.775 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.54 120.5 7.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -59.06 165.28 3.61 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.83 144.8 84.57 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.602 2.201 . . . . 0.0 112.345 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.18 111.15 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.978 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.69 24.27 4.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.583 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.0 m -97.92 129.84 44.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.835 0.35 . . . . 0.0 110.826 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.417 HG21 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -60.66 150.86 30.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.936 -179.868 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.0 p -141.0 -47.19 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.65 125.19 40.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -127.78 34.74 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.49 173.06 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.61 49.16 1.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -152.56 -45.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.166 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -175.53 122.52 0.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.2 m -84.77 159.21 20.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -128.33 -178.7 4.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.417 ' CZ ' HG21 ' A' ' 21' ' ' THR . 23.3 m-85 -139.06 169.94 16.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 90.4 m -97.59 154.03 17.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -110.7 22.71 15.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.101 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.44 27.09 32.44 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.742 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -106.07 -35.88 7.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 110.978 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.6 t -157.86 168.81 26.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.5 m -73.84 -29.06 61.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.31 136.07 57.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.8 t -78.88 118.99 75.61 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -51.62 149.1 19.36 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.448 2.099 . . . . 0.0 112.338 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.0 t -98.65 30.86 3.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -148.72 148.37 27.69 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.97 99.51 0.88 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.522 2.148 . . . . 0.0 112.31 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.337 -1.257 . . . . 0.0 112.458 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.1 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.884 0.373 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.1 m 61.39 154.68 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.21 157.81 28.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.08 164.1 12.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.28 -27.27 30.0 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.524 2.15 . . . . 0.0 112.336 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.4 t -75.5 -49.33 19.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.6 p -100.18 122.75 43.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -75.77 -70.48 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -109.68 -28.2 8.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.4 t -176.38 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -77.45 105.85 8.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -76.43 149.32 36.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -59.12 150.28 63.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.82 148.3 37.88 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.48 108.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.095 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.6 23.69 5.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.523 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.2 m -123.28 137.75 54.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.775 0.322 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.5 t -54.36 147.37 13.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.8 p -122.98 -43.21 2.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.414 ' CZ2' HG23 ' A' ' 25' ' ' THR . 14.8 t90 -85.86 -69.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.4 tttm 61.36 105.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.414 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -143.32 172.48 12.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.6 t -64.79 -30.59 71.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.949 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.3 m -79.43 -36.82 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.211 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -179.9 -176.55 0.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -134.93 156.81 48.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.404 ' CE1' ' O ' ' A' ' 40' ' ' PRO . 23.2 m170 -118.56 117.6 29.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -81.63 114.37 20.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.0 t -64.41 147.81 51.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.4 p -94.31 12.82 25.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.308 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.24 26.66 21.78 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.839 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -129.23 -44.37 1.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.348 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.65 152.45 51.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.2 m -72.11 -23.53 61.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -62.78 97.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 71.9 m -63.3 147.41 95.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.404 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 51.7 Cg_exo -52.77 177.51 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.528 2.152 . . . . 0.0 112.302 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 m -111.48 -33.5 6.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -110.69 156.11 41.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.93 147.52 61.97 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.56 2.173 . . . . 0.0 112.314 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.451 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.711 0.291 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 t 43.48 93.69 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.461 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 m -106.98 168.65 9.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.01 -166.76 35.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.37 -39.98 79.71 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.589 2.192 . . . . 0.0 112.316 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.06 26.37 5.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.8 m -151.38 123.93 8.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.8 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -80.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.824 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -137.1 6.2 2.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.573 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.7 t -178.34 -43.58 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -88.8 159.42 17.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -116.59 153.46 32.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -59.42 150.17 66.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.94 144.4 45.24 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.579 2.186 . . . . 0.0 112.334 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.83 107.07 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.058 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.89 27.13 3.59 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.529 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.5 m -118.26 157.01 27.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.99 138.78 38.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.8 p -115.88 -39.27 3.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.414 ' CD2' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -117.5 130.47 56.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -133.22 31.45 3.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.414 HG23 ' CD2' ' A' ' 23' ' ' TRP . 9.6 t -61.27 172.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.5 t -88.59 53.62 2.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -152.48 -45.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.185 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.2 p -176.0 115.39 0.13 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -73.57 150.23 41.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -118.42 -179.48 3.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -140.95 172.42 12.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.92 137.05 54.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.7 t -103.84 23.54 12.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.05 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.13 34.41 52.88 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.657 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -114.67 -69.08 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.966 0.412 . . . . 0.0 110.981 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -134.19 172.29 13.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.8 m -72.85 -32.73 65.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -59.32 100.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 77.0 m -61.41 148.58 85.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.75 177.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.504 2.136 . . . . 0.0 112.343 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.4 t -123.09 30.25 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.406 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 12.6 p90 -173.23 84.2 0.4 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.99 154.43 66.83 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.537 2.158 . . . . 0.0 112.315 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.49 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.1 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.775 0.322 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.65 172.09 6.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.72 156.79 19.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.8 167.84 12.82 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.84 59.16 5.0 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.659 2.239 . . . . 0.0 112.464 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -179.21 37.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.918 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.3 140.65 17.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.4 51.88 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 73.02 5.72 5.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.554 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -179.83 -54.8 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.822 0.344 . . . . 0.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -82.06 139.73 34.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.31 148.96 22.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -59.7 153.38 52.52 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.44 143.97 42.54 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.61 2.207 . . . . 0.0 112.302 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.54 108.62 1.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.93 26.78 3.71 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.0 m -103.86 167.68 9.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.785 0.326 . . . . 0.0 110.814 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.415 HG21 ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -105.27 108.91 20.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.4 p -98.23 -31.46 12.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -123.45 124.5 43.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -135.49 38.17 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.6 m -60.36 156.07 16.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.7 -29.88 68.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -72.67 -32.51 41.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.2 p -176.58 170.84 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.9 p -140.55 113.99 8.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.405 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 9.2 m170 -96.15 -177.29 3.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.415 ' CZ ' HG21 ' A' ' 21' ' ' THR . 28.8 m-85 -140.67 172.16 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.59 127.72 54.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.5 p -97.01 22.81 7.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.91 29.65 35.12 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.707 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -112.12 -34.24 6.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.338 . . . . 0.0 111.002 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.3 m -145.52 172.98 12.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.1 m -96.43 10.61 37.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.266 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -119.34 124.51 46.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.834 0.349 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.3 m -59.73 110.42 2.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.09 157.69 5.93 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.428 2.086 . . . . 0.0 112.317 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 p -60.15 -32.92 71.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -101.96 149.73 36.79 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.12 -177.59 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.599 2.2 . . . . 0.0 112.312 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.487 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.1 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.865 0.365 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 60.3 172.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.62 141.5 35.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.55 159.32 10.58 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.54 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.55 62.15 2.87 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.574 2.183 . . . . 0.0 112.346 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -177.19 37.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.2 p -170.53 155.52 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.6 51.77 2.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 72.04 6.52 5.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.576 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 t -176.61 -51.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -81.03 122.14 26.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.2 140.79 29.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -58.83 155.34 31.85 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.54 146.28 43.59 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.558 2.172 . . . . 0.0 112.342 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.6 108.11 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.33 23.48 4.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.56 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.5 m -112.16 113.88 26.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.366 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 t -58.2 166.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.047 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.5 p -135.55 -46.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -83.19 137.22 34.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -133.68 73.37 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.31 63.41 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 77.7 -56.52 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.024 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 p -135.22 -43.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.232 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.8 m -60.01 146.59 42.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.55 144.77 10.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -106.87 108.99 20.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -73.42 116.55 14.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.6 m -74.13 147.51 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.806 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 65.1 p -99.5 18.13 18.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.179 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.16 32.28 12.87 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.768 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -112.08 -34.13 6.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.987 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -146.8 172.46 13.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.8 m -75.43 -30.63 60.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -58.42 158.91 6.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.4 m -114.09 88.21 14.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_exo -51.66 174.3 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.54 2.16 . . . . 0.0 112.333 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 m -98.13 36.45 1.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -106.91 80.07 0.74 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -26.96 27.15 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.544 2.163 . . . . 0.0 112.322 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.455 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.8 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.792 0.329 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 p 59.0 109.22 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.7 p -88.87 144.03 26.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.66 169.89 33.46 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.78 -27.66 53.68 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.601 2.201 . . . . 0.0 112.365 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.1 t -79.3 -30.38 42.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 m -100.69 136.8 39.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.03 -67.72 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -111.45 -27.33 8.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.8 t -175.08 -39.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.969 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.92 155.91 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.65 145.66 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.839 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -59.29 150.39 63.94 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.81 148.15 38.33 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.677 2.251 . . . . 0.0 112.411 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.27 115.11 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.94 21.1 8.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.427 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.3 m -114.23 132.57 56.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.826 0.345 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 1.6 t -59.11 133.54 56.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.6 p -102.53 -31.59 10.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.761 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.417 ' CZ2' HG22 ' A' ' 25' ' ' THR . 22.7 t90 -132.7 144.63 50.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -134.09 116.34 15.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.417 HG22 ' CZ2' ' A' ' 23' ' ' TRP . 0.2 OUTLIER -124.39 156.62 36.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.7 t -60.1 -33.18 71.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.7 m -82.19 -32.91 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.178 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -177.64 168.44 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.44 -178.71 4.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -119.46 179.95 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.791 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 5.7 m-85 -149.92 117.13 6.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.173 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.8 t -84.28 134.18 34.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.836 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.8 t -95.65 21.18 8.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.062 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.8 26.91 18.77 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.74 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -104.63 -34.28 8.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 110.941 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.1 p -164.44 169.88 16.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.13 -30.11 64.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -65.22 111.6 3.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 74.6 m -67.23 153.52 94.53 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.41 177.39 6.09 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.542 2.161 . . . . 0.0 112.245 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.35 35.93 3.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -147.76 149.67 34.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.2 -27.01 28.39 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.593 2.195 . . . . 0.0 112.335 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.482 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 38.0 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.825 0.345 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -107.53 163.44 13.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.42 132.17 39.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.02 -171.75 42.49 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.55 -27.76 12.64 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.599 2.199 . . . . 0.0 112.362 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.8 t -81.19 -29.58 34.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.3 p -115.13 122.98 47.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -77.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -134.61 6.78 3.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.554 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.3 t -178.08 -52.67 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.817 0.342 . . . . 0.0 111.026 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -84.95 140.72 30.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.02 162.21 16.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -69.68 149.45 96.81 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.38 148.47 33.28 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.634 2.223 . . . . 0.0 112.336 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.91 118.48 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.76 16.26 17.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.601 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.7 m -113.49 112.24 23.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.863 0.363 . . . . 0.0 110.803 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.417 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 1.5 t -55.35 153.77 6.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.144 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.3 p -128.25 -44.05 1.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -97.1 161.99 13.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.813 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -178.19 133.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 t -133.77 58.06 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.144 0.497 . . . . 0.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m 54.69 23.06 4.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.787 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -176.85 -49.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.924 0.392 . . . . 0.0 111.448 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 t -88.73 175.71 7.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.04 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.52 144.43 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.816 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -115.16 114.93 25.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.417 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 3.8 m-85 -80.88 125.57 30.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.997 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 57.4 m -75.06 137.26 41.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 t -92.32 13.86 18.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.51 27.72 26.91 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.639 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.0 ttp85 -110.79 -34.49 6.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.77 0.319 . . . . 0.0 110.983 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 m -154.27 172.51 17.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.999 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.6 t -73.97 -28.33 61.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -57.04 149.93 18.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 94.8 m -113.74 88.71 14.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -51.42 177.67 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.557 2.171 . . . . 0.0 112.349 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.5 p -95.25 44.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -106.16 86.04 1.88 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -26.97 27.19 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.581 2.187 . . . . 0.0 112.288 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.497 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.845 0.355 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.58 97.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.48 120.95 26.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.72 -175.31 41.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.531 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.09 -28.1 24.09 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.564 2.176 . . . . 0.0 112.295 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 54.3 m -74.71 -31.99 62.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.8 m -100.12 127.33 46.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -72.96 -74.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -107.97 -28.41 9.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -169.14 -42.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.31 130.87 35.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.05 165.53 15.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -81.08 159.46 68.13 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.8 145.13 94.69 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.588 2.192 . . . . 0.0 112.326 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.7 113.83 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.87 25.51 4.49 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.526 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.6 m -124.58 147.39 48.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.408 HG21 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -65.06 167.81 7.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.3 p -154.89 -44.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.025 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.441 ' CE3' ' CG2' ' A' ' 25' ' ' THR . 1.3 t90 -83.34 -69.23 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.936 0.398 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.9 tttt 55.4 85.96 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.064 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.441 ' CG2' ' CE3' ' A' ' 23' ' ' TRP . 8.0 t -143.46 121.31 11.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.39 31.51 20.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 t 70.56 31.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.4 t -144.84 94.5 2.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 p -96.96 174.48 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.423 ' CD2' ' CE3' ' A' ' 23' ' ' TRP . 14.1 m170 -106.89 -26.39 11.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.408 ' CE2' HG21 ' A' ' 21' ' ' THR . 26.7 m-85 62.67 145.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.52 153.27 21.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.9 p -110.26 20.86 17.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.17 25.73 18.9 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.746 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -112.05 -33.79 6.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.0 t -147.0 173.41 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 t -96.04 10.81 36.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.213 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -115.55 107.1 14.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.812 0.339 . . . . 0.0 110.843 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.9 m -57.99 109.33 1.72 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.18 172.96 11.15 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.397 2.065 . . . . 0.0 112.326 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.7 t -85.38 57.31 4.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -141.15 87.3 10.8 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.9 -174.72 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.577 2.185 . . . . 0.0 112.311 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.521 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 38.2 m . . . . . 0 N--CA 1.462 0.13 0 CA-C-O 120.84 0.352 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 98.0 m 63.33 144.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.676 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 p -105.2 157.58 17.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.06 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.44 160.7 10.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.388 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -51.36 -24.76 16.69 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.574 2.183 . . . . 0.0 112.478 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 t -80.46 -34.51 35.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.4 m -107.62 125.56 51.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.001 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -74.62 -71.49 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.806 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -112.8 -26.14 8.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.2 t -174.01 -40.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -58.36 172.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -128.16 126.88 41.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -57.98 162.45 5.43 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.965 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.52 146.18 73.19 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.568 2.179 . . . . 0.0 112.368 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.95 160.57 5.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.068 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.35 24.44 59.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.554 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.8 m -119.84 131.3 55.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.358 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.7 t -58.48 149.17 25.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.5 p -123.81 -41.46 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -77.71 -66.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.0 tttt 60.96 79.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.46 172.28 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.4 m -91.57 59.68 3.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.44 -38.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.69 122.87 1.02 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.6 p -97.21 157.94 15.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -125.09 120.22 30.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.763 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -83.47 120.05 25.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.9 t -76.6 138.25 40.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.5 p -93.53 15.89 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.201 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.44 26.19 9.58 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.771 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.9 -36.07 8.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.988 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.2 t -159.02 165.92 32.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.0 m -71.92 -29.04 63.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -69.9 89.3 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 97.9 m -59.1 149.1 68.75 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.11 178.25 4.35 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.533 2.155 . . . . 0.0 112.241 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 m -101.05 -31.29 11.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 32.7 p90 -82.84 148.69 58.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.7 176.35 7.61 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.562 2.174 . . . . 0.0 112.286 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.523 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 p -72.95 116.68 13.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.6 p -109.3 172.03 7.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.45 171.99 14.75 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.68 -27.85 35.18 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.558 2.172 . . . . 0.0 112.305 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.93 35.84 2.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.1 m -155.25 125.29 6.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -59.26 -31.58 69.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.969 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 165.75 -29.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.276 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 91.7 m -134.48 -45.89 0.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -86.28 169.87 12.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -128.75 144.98 51.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -59.67 153.85 49.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.72 147.74 86.13 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.579 2.186 . . . . 0.0 112.37 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.39 114.8 2.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.115 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.43 15.63 7.51 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.68 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.1 m -100.01 161.99 13.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 0.0 110.828 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.32 118.45 36.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.2 p -102.29 -43.28 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -114.83 151.57 33.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -179.22 109.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 m -155.69 60.96 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.984 0.421 . . . . 0.0 111.009 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.9 m 45.95 30.0 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.47 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.7 m -117.61 -40.4 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.182 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.89 -37.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t 65.02 96.51 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -78.99 175.78 10.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -135.12 172.73 12.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.43 131.46 42.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.4 18.39 12.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.92 26.51 8.54 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.758 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -119.45 -40.44 2.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 111.071 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -148.83 168.68 22.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.01 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.9 m -74.96 -28.92 60.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -63.8 143.27 57.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.8 m -95.05 148.27 34.4 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.73 151.18 63.37 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.586 2.191 . . . . 0.0 112.295 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -63.27 -31.68 72.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -105.84 156.07 37.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.86 -27.09 26.41 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.561 2.174 . . . . 0.0 112.306 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.378 -1.235 . . . . 0.0 112.47 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.0 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.789 0.328 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.19 150.31 21.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.6 p -103.64 152.0 22.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.66 166.33 13.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.542 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.53 -21.57 31.33 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.66 2.24 . . . . 0.0 112.56 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.6 36.0 1.43 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.12 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 p -178.3 122.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.837 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -59.51 -80.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -136.52 7.7 3.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.582 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -178.47 -47.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -73.35 157.09 37.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.63 136.25 54.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -56.94 148.97 46.84 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.28 144.3 39.8 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.588 2.192 . . . . 0.0 112.337 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.39 107.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.34 28.03 3.43 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.7 m -109.9 150.74 27.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.41 HG21 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -80.79 137.33 36.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.9 p -127.35 -45.25 1.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -94.64 147.76 22.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -169.08 92.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.0 t -96.43 74.12 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 78.06 -56.56 0.49 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.059 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 p -133.05 -44.77 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.173 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.74 115.53 9.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.3 p -128.69 143.72 51.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -108.16 -179.4 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.41 ' CZ ' HG21 ' A' ' 21' ' ' THR . 20.0 m-85 -139.96 171.64 13.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.7 m -117.03 152.54 34.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.1 t -111.82 20.72 16.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.97 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.19 32.6 29.05 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.645 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -113.23 -35.3 5.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.758 0.313 . . . . 0.0 111.061 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.4 t -152.8 172.51 16.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.046 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.7 m -72.26 -29.69 64.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -58.49 158.67 7.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.0 m -114.51 87.3 13.84 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.13 172.56 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.551 2.167 . . . . 0.0 112.271 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.7 m -97.75 40.1 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -106.79 81.79 0.95 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.89 -167.99 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.59 2.193 . . . . 0.0 112.287 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.506 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.4 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.877 0.37 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.1 m -147.23 151.27 36.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.2 p -104.83 156.54 17.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.41 167.25 12.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.551 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.68 -25.06 48.88 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.641 2.227 . . . . 0.0 112.492 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.0 t -95.21 41.81 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.1 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.2 p 178.37 139.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 ttt85 -74.93 -79.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -134.66 7.11 3.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.499 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -179.78 -42.21 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.867 0.365 . . . . 0.0 110.773 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -90.51 138.22 31.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.8 152.19 19.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -58.81 151.94 51.07 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -55.52 149.65 46.84 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.63 2.22 . . . . 0.0 112.381 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.28 119.14 5.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.066 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.16 22.5 12.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.6 m -110.68 127.71 55.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.92 0.39 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -58.28 165.19 2.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.972 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 p -156.95 30.27 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.419 ' CE2' HG22 ' A' ' 25' ' ' THR . 2.0 t90 -144.28 -67.48 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? 56.77 76.24 0.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.041 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.419 HG22 ' CE2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -94.31 71.04 3.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 78.04 -56.53 0.49 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.033 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 p -133.7 -44.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.196 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.39 175.77 8.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.98 158.31 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.402 ' CD2' ' CE3' ' A' ' 23' ' ' TRP . 13.6 m170 -107.99 105.1 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -70.79 115.87 10.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.0 t -68.09 157.25 35.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.6 p -104.24 17.81 23.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.29 27.38 16.07 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.74 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -113.16 -68.83 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.984 0.421 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.57 164.02 13.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.6 m -71.6 -29.08 64.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -67.84 120.41 14.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 81.4 m -71.89 147.37 91.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.96 131.75 18.73 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.542 2.161 . . . . 0.0 112.338 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.6 t -60.17 -31.5 70.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 32.7 p90 -93.83 151.35 39.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.87 130.26 18.9 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.615 2.21 . . . . 0.0 112.324 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.508 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.743 0.306 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 t 43.1 73.58 0.14 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.51 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.8 m -64.55 131.93 48.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.11 179.34 44.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.526 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.26 -39.44 72.11 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.595 2.197 . . . . 0.0 112.286 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.53 40.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.47 131.11 25.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.81 56.45 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.806 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 74.58 3.87 4.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.555 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 170.9 -51.61 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.82 0.343 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -77.56 157.68 30.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.88 138.73 34.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.963 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -61.33 159.73 28.73 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.878 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.73 144.52 84.14 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.558 2.172 . . . . 0.0 112.257 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 161.91 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.144 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.35 24.09 58.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.563 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.7 m -116.58 139.08 50.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.325 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.98 145.27 40.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.5 p -120.04 -41.06 2.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -80.02 -67.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 tttt 58.64 86.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 m -125.19 172.17 9.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.75 52.93 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.46 -38.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.187 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.5 m -167.2 134.2 2.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.4 p -130.02 161.25 31.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -124.76 159.53 30.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -120.49 161.53 21.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.49 157.04 17.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.7 p -107.93 15.22 24.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.208 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.36 48.16 54.83 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.706 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.9 ttm-85 -157.23 -45.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.387 . . . . 0.0 111.02 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.07 172.41 6.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.7 m -120.47 28.27 8.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -126.93 110.91 13.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.4 m -57.58 109.7 1.96 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -51.65 177.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.477 2.118 . . . . 0.0 112.288 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -99.62 32.33 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -161.34 148.86 12.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.56 -178.56 2.71 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.529 2.152 . . . . 0.0 112.327 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.488 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.8 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.859 0.361 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 t -91.95 137.76 32.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.86 157.17 16.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.91 -176.07 32.74 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.522 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.56 -26.07 20.29 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.594 2.196 . . . . 0.0 112.435 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.22 40.98 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.011 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 p -177.22 132.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -67.61 -80.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -136.85 7.87 2.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.601 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -175.84 -46.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.784 0.326 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -86.16 160.84 19.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.54 150.78 37.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -58.43 158.4 14.94 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.94 143.41 40.03 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.564 2.176 . . . . 0.0 112.362 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.23 116.58 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.84 27.72 7.76 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.53 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.1 m -109.84 165.05 12.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.44 ' CG2' ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -85.24 150.98 24.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.8 p -143.87 -46.94 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.441 ' CH2' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -75.84 162.63 27.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.85 97.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.441 ' CG2' ' CH2' ' A' ' 23' ' ' TRP . 4.1 t -161.19 138.33 8.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 59.98 30.08 19.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.3 t 70.22 30.61 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.955 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -138.03 145.41 41.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.8 m -142.82 172.67 12.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -128.33 173.93 9.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.44 ' CE1' ' CG2' ' A' ' 21' ' ' THR . 5.3 m-85 -125.75 142.61 51.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 55.8 m -92.09 166.2 12.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.2 t -119.64 26.1 9.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.973 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.93 32.44 59.34 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.613 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -112.21 -68.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.983 0.421 . . . . 0.0 110.963 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 m -131.54 172.7 11.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 67.7 m -71.98 -31.1 65.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.52 97.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.3 m -58.47 109.98 2.25 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.37 177.36 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.444 2.096 . . . . 0.0 112.309 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -99.09 36.05 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -115.49 82.78 10.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.17 95.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.595 2.197 . . . . 0.0 112.316 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.418 ' HA3' ' CG ' ' A' ' 31' ' ' TYR . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.352 -1.249 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.842 0.353 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.25 112.11 23.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 t -143.0 157.26 44.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.82 -155.04 25.67 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.84 -26.72 26.93 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.599 2.199 . . . . 0.0 112.373 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 t -117.45 29.71 7.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.994 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.5 m -153.21 157.11 39.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.5 ttm-85 -126.89 101.78 6.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.789 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 65.68 -76.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.1 m -146.91 31.19 0.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -140.8 113.76 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 pp -79.05 152.03 31.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -66.42 162.86 45.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -65.12 145.64 85.12 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.603 2.202 . . . . 0.0 112.367 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.42 113.67 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.055 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.2 22.98 5.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.568 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.4 m -96.97 164.37 12.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.415 HG21 ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -108.67 108.04 18.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.883 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.4 p -94.03 -36.34 12.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.407 ' CH2' HG23 ' A' ' 25' ' ' THR . 0.0 OUTLIER -116.13 122.68 45.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -143.99 31.99 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.407 HG23 ' CH2' ' A' ' 23' ' ' TRP . 7.4 t -65.15 170.14 4.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 m -68.27 -26.75 65.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.044 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -72.78 -33.83 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.113 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.09 -169.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.3 p -159.15 149.4 19.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -138.82 170.95 15.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.415 ' CZ ' HG21 ' A' ' 21' ' ' THR . 13.2 m-85 -131.74 172.1 12.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -114.96 151.39 34.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.8 p -104.93 20.86 18.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.0 35.23 58.89 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.684 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.4 mmp_? -156.0 36.92 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.756 0.313 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.4 p -175.95 166.37 3.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 93.8 m -118.85 27.42 8.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -147.66 132.34 17.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.9 m -65.07 148.23 97.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.17 177.47 5.83 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.572 2.181 . . . . 0.0 112.272 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.64 -31.44 12.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.414 ' O ' ' CD2' ' A' ' 42' ' ' TYR . 40.9 p90 -91.05 110.07 39.67 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.92 -170.81 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.492 2.128 . . . . 0.0 112.296 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.396 -1.225 . . . . 0.0 112.484 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 76.7 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.877 0.37 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.2 m -95.97 162.17 13.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.743 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.72 155.82 24.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.967 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.02 172.34 27.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.553 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -62.55 -30.0 78.97 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.638 2.225 . . . . 0.0 112.269 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.9 t -98.55 37.36 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.712 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.33 117.37 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.815 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -80.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -117.51 -19.48 9.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.396 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.2 t -169.59 -40.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.785 0.326 . . . . 0.0 111.023 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 pttt -78.12 139.37 39.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.53 148.21 24.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -57.38 161.83 5.16 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.986 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.04 145.33 33.92 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.595 2.197 . . . . 0.0 112.405 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.22 108.79 3.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.52 28.09 3.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.6 t -123.57 164.12 19.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.34 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.79 155.01 29.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.807 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.1 p -151.34 -46.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.42 ' CZ2' HG22 ' A' ' 25' ' ' THR . 17.5 t90 -82.08 -80.6 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.022 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt 60.76 116.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.074 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.42 HG22 ' CZ2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -113.23 56.84 0.68 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.213 0.53 . . . . 0.0 110.949 179.888 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m 55.29 21.77 4.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.693 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.7 p -179.48 -45.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.798 0.333 . . . . 0.0 111.495 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.0 t -121.21 127.84 51.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.7 p -125.66 148.5 48.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -105.56 109.24 21.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.775 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -58.17 147.02 31.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -83.1 142.04 31.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 t -90.22 5.29 47.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.259 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.72 27.53 28.05 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.697 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.4 ttt85 -114.49 -36.16 4.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.797 0.332 . . . . 0.0 111.04 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m -133.04 170.33 15.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.975 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.3 m -72.16 -29.0 63.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -89.14 159.09 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.9 m -90.77 148.82 39.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.63 177.44 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.568 2.179 . . . . 0.0 112.273 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.2 t -118.51 31.48 6.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -158.89 150.56 16.95 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.93 91.6 0.53 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.609 2.206 . . . . 0.0 112.337 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.377 -1.235 . . . . 0.0 112.51 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.4 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.817 0.341 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.89 155.29 16.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.721 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.23 168.29 9.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.948 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.27 178.0 15.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.396 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -78.47 53.94 4.79 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.681 2.254 . . . . 0.0 112.548 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER 177.93 37.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.836 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 m -163.85 96.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.017 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -64.53 82.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.491 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 77.13 -59.9 0.47 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.1 t -140.16 -41.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.207 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -69.54 127.02 31.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.981 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.0 150.35 22.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -61.77 154.08 68.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -62.55 146.34 95.43 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.593 2.195 . . . . 0.0 112.303 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.89 111.5 1.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.07 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.32 23.61 4.76 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.61 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.5 m -99.86 164.81 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 110.818 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.449 ' CG2' ' CZ ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -110.9 122.36 47.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.834 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.3 p -111.57 -44.88 3.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -92.67 156.63 16.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -176.69 79.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.9 p -90.7 71.82 6.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 77.95 -56.52 0.49 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.065 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 p -128.72 -43.77 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.152 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 t -73.89 108.6 6.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.1 p -133.25 88.22 2.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.418 ' CD2' ' HG3' ' A' ' 43' ' ' PRO . 15.5 m170 -60.47 178.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.449 ' CZ ' ' CG2' ' A' ' 21' ' ' THR . 22.1 m-85 -138.31 161.81 35.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 67.3 m -99.25 134.89 41.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.7 p -97.08 23.47 7.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.085 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.88 26.93 35.21 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.647 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -104.9 -34.06 8.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 110.938 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -155.22 161.07 41.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.8 m -71.83 -27.01 62.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -78.81 117.62 20.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.9 m -59.67 149.39 71.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.05 177.45 5.77 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.59 2.193 . . . . 0.0 112.316 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -130.22 31.67 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.402 ' O ' ' CD2' ' A' ' 42' ' ' TYR . 15.6 p90 -149.13 87.6 5.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HG3' ' CD2' ' A' ' 30' ' ' HIS . 54.2 Cg_exo -52.06 98.11 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.596 2.198 . . . . 0.0 112.317 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.509 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.3 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.835 0.35 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.2 p -70.8 99.26 1.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.93 109.48 21.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.36 -173.02 44.18 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.54 -25.54 10.94 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.657 2.238 . . . . 0.0 112.569 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.03 42.05 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.095 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.8 p -176.78 127.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.038 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.46 -164.39 1.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.765 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.81 95.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.197 0.522 . . . . 0.0 111.088 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.7 m 56.91 59.86 3.29 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.032 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -176.79 142.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 pp -105.16 165.44 11.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -83.43 154.15 65.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.74 146.84 79.98 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.606 2.204 . . . . 0.0 112.371 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.19 115.92 3.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.011 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.42 19.01 6.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.653 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.5 m -100.65 166.11 11.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.34 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.82 119.01 38.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.781 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.1 p -96.45 -40.57 9.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.008 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.49 48.22 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.034 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -68.46 71.81 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 m -100.61 171.07 7.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 m -78.04 -5.45 51.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.414 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -101.39 -36.36 4.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.837 0.351 . . . . 0.0 111.181 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.69 -175.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.9 p -154.3 155.91 36.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -109.86 -32.06 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 60.37 167.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.847 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -127.3 140.84 51.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.9 t -106.27 23.31 14.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 57.65 26.69 57.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.584 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 -100.5 -33.04 10.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -172.2 170.27 5.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.3 t -71.86 -29.42 64.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -72.7 107.28 5.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -68.57 146.08 97.49 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.62 165.72 31.92 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.508 2.139 . . . . 0.0 112.307 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -107.64 66.66 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -160.85 87.3 1.74 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.0 155.58 64.8 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.536 2.157 . . . . 0.0 112.303 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.463 -179.993 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.829 0.347 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.25 158.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 p -129.8 141.97 50.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.8 -170.87 37.61 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.529 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.57 -41.47 3.23 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.879 2.386 . . . . 0.0 112.359 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.7 t -65.15 -24.69 67.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.367 -179.676 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.0 p -120.48 119.48 33.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.97 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -57.35 -76.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -132.91 6.28 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.48 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 177.45 -53.13 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.97 148.08 27.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 pp -107.03 151.6 25.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -59.85 159.44 19.61 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.98 148.02 90.58 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.07 111.23 1.24 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.94 23.42 4.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.604 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -110.11 154.65 22.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.803 0.335 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.449 ' CG2' ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -92.32 118.17 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.7 p -94.53 -40.55 9.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -103.38 125.28 49.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.08 35.19 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.2 172.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 t -91.55 50.61 1.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.9 m -158.89 -44.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -164.89 131.43 2.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.7 p -108.69 152.16 25.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -130.54 172.63 11.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.449 ' CZ ' ' CG2' ' A' ' 21' ' ' THR . 53.5 m-85 -132.81 159.74 38.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.02 145.21 29.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.806 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -105.71 23.53 13.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.078 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.69 25.9 23.18 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.738 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 -100.15 -33.63 10.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.4 t -167.76 172.38 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.2 t -72.07 -30.98 65.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -67.08 109.64 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 97.7 m -67.04 149.22 98.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.58 176.61 7.16 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.574 2.182 . . . . 0.0 112.309 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 m -116.76 31.62 6.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -114.38 87.52 13.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.76 90.59 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.517 2.144 . . . . 0.0 112.325 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.466 -1.185 . . . . 0.0 112.474 -179.976 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.1 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.805 0.336 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.81 172.29 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.6 96.02 5.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.15 162.49 28.61 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.84 60.7 3.68 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.593 2.195 . . . . 0.0 112.39 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 179.45 39.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.806 179.879 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.2 m -149.99 161.56 42.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -95.94 43.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.814 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 72.95 6.17 5.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.547 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -178.95 -39.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.862 0.363 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -84.92 170.08 13.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.31 125.68 54.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -60.17 159.5 21.47 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -64.25 144.62 86.92 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.581 2.187 . . . . 0.0 112.295 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.76 162.69 3.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.087 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.84 24.03 57.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.607 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.3 m -112.34 114.56 27.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.843 0.354 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -59.76 168.34 1.77 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 p -140.37 -46.92 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -87.52 150.68 23.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -179.02 86.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.401 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 9.4 t -130.32 61.9 1.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.998 0.428 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.5 p 49.73 34.86 7.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.32 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.401 ' CG2' ' CG2' ' A' ' 25' ' ' THR . 5.7 m -140.38 -48.68 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.244 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.23 -173.28 0.18 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.59 149.13 35.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -109.97 107.89 17.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -72.08 111.42 7.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 83.7 m -70.38 141.79 52.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.756 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 t -94.69 17.56 13.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.234 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.71 26.34 10.52 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.739 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -104.41 -33.71 8.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.994 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.8 p -153.75 172.5 17.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 75.3 m -72.14 -30.8 65.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -59.64 142.93 51.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.1 m -102.86 92.41 3.54 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.54 165.23 28.01 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.496 2.13 . . . . 0.0 112.285 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.5 m -85.15 57.23 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -117.24 71.25 6.14 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.05 178.84 4.34 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.592 2.194 . . . . 0.0 112.311 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.414 -1.215 . . . . 0.0 112.487 179.941 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.8 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 p -75.57 115.07 14.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.3 p -104.98 133.09 50.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.67 -163.98 36.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.51 -30.64 6.27 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.595 2.196 . . . . 0.0 112.581 -179.855 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.3 t -97.65 26.19 5.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.196 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.6 m -146.06 142.72 28.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.926 179.835 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.99 54.25 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.848 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 73.04 5.62 5.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.604 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.8 t -177.97 -58.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.798 0.333 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -82.84 135.27 35.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 pp -94.6 149.64 21.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.34 157.1 83.36 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.62 145.8 91.9 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.56 2.174 . . . . 0.0 112.351 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.34 121.74 12.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.9 23.71 9.08 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.598 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.4 m -126.65 148.62 49.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.415 HG21 ' CE2' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -59.57 163.54 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.8 p -154.68 -46.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -102.89 79.7 1.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -82.96 119.57 24.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -124.74 172.4 9.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 p -92.86 48.73 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.45 -38.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -161.61 128.57 3.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.5 p -118.1 142.11 47.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -100.35 176.98 5.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.415 ' CE2' HG21 ' A' ' 21' ' ' THR . 11.3 m-85 -125.8 172.4 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.03 145.12 40.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.6 t -105.84 20.37 19.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.46 24.62 24.39 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.796 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.5 mtt-85 -110.93 -33.8 6.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.29 171.03 21.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.835 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.9 -29.64 64.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.81 148.24 30.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.6 m -112.92 90.13 14.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -51.05 177.63 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.561 2.174 . . . . 0.0 112.353 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 p -97.05 39.68 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -106.84 79.14 0.63 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.8 -177.25 1.8 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.575 2.184 . . . . 0.0 112.302 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.367 -1.24 . . . . 0.0 112.454 179.988 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.9 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.0 m 63.44 133.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.76 154.65 20.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.41 168.07 17.3 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.53 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -55.61 -23.15 38.77 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.655 2.237 . . . . 0.0 112.47 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.8 t -97.48 30.6 2.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.048 -179.782 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.8 p -179.26 126.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.825 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 mtm180 -80.98 -76.27 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -112.76 -21.01 11.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.265 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -178.21 -36.95 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.815 0.341 . . . . 0.0 111.075 -179.857 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -78.54 97.94 5.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.962 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 pp -71.86 147.83 46.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -56.25 147.22 48.17 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.016 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.32 145.64 44.11 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.584 2.189 . . . . 0.0 112.311 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.32 103.26 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.012 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.94 30.5 2.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 m -120.49 152.48 37.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.421 HG21 ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -63.67 166.51 6.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.7 p -157.49 -45.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.447 ' CZ2' ' CG2' ' A' ' 25' ' ' THR . 7.0 t90 -111.51 146.88 36.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.59 105.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.447 ' CG2' ' CZ2' ' A' ' 23' ' ' TRP . 75.0 p -102.68 74.03 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 78.07 -56.46 0.49 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 p -133.12 -44.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.204 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 m -71.36 116.07 11.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 t -133.63 144.24 49.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.415 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 58.5 m170 -111.48 176.17 5.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.421 ' CZ ' HG21 ' A' ' 21' ' ' THR . 14.6 m-85 -130.09 156.26 44.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.3 t -100.25 142.95 31.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.806 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -103.36 21.32 16.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.157 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.36 26.62 14.58 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.724 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.2 mtt85 -98.06 -33.4 11.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 110.958 -179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -165.95 173.13 10.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.6 m -71.37 -30.46 66.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -74.76 94.2 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.61 154.36 56.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -69.03 143.67 55.21 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.541 2.16 . . . . 0.0 112.287 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.415 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 56.0 p -98.3 35.6 1.75 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -146.05 158.54 48.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.18 128.08 25.98 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.545 2.163 . . . . 0.0 112.351 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.513 -179.996 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.842 0.354 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.88 163.74 13.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.97 123.22 44.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.8 166.21 35.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.549 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.94 -23.54 21.61 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.578 2.186 . . . . 0.0 112.423 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.2 t -97.21 29.53 3.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.023 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.4 m -161.51 121.02 2.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.829 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -69.45 -80.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -127.9 -3.04 5.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.628 -179.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 178.61 -38.34 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -75.08 168.34 20.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.951 -179.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 tt -120.21 138.63 53.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 mmtt -58.89 149.15 66.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -52.99 143.58 49.13 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.565 2.176 . . . . 0.0 112.342 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.14 105.82 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.069 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.31 29.02 2.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.567 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.9 m -116.62 152.4 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.329 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.418 HG21 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -76.26 129.7 37.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -119.7 -40.93 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -100.83 165.62 11.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.47 93.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 m -104.22 63.98 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t 77.83 -56.55 0.5 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.086 -179.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 p -123.48 -41.36 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.162 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 t -76.1 108.74 9.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.37 79.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -61.23 152.26 29.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.418 ' CZ ' HG21 ' A' ' 21' ' ' THR . 30.6 m-85 -111.28 171.08 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.21 143.62 36.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.3 t -105.81 22.97 14.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.041 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.4 30.15 40.27 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.643 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -102.56 -35.4 8.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.341 . . . . 0.0 110.967 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 m -166.3 172.31 11.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.6 m -72.13 -31.09 65.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -69.87 113.63 7.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.2 m -60.53 149.23 78.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.09 177.46 5.78 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.583 2.189 . . . . 0.0 112.3 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.9 p -126.63 32.25 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -158.62 87.22 2.31 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.16 126.7 21.1 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.501 2.134 . . . . 0.0 112.352 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.358 -1.246 . . . . 0.0 112.449 -179.936 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 67.7 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.848 0.356 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.2 p -101.67 118.41 36.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -90.61 156.82 17.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.41 162.46 10.91 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.26 -28.07 41.01 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.625 2.216 . . . . 0.0 112.246 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 t -101.97 34.3 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 m -150.71 146.49 26.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -93.0 49.06 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.818 179.849 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.46 5.47 4.98 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.532 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.1 t -177.14 -52.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.803 0.335 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -74.27 156.93 36.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -117.21 136.25 53.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -64.87 154.2 86.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.64 144.25 71.48 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.569 2.179 . . . . 0.0 112.332 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.7 119.9 10.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.33 22.98 7.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.538 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.0 m -125.11 129.72 50.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.795 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.422 HG21 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -59.91 156.5 14.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.4 p -131.44 -44.3 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -70.64 -74.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.016 -179.82 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 tttt 45.13 92.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.339 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.6 p -127.75 56.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.14 0.495 . . . . 0.0 111.088 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.2 p 44.89 27.22 0.25 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.925 179.541 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 50.0 t -156.82 -67.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.989 0.423 . . . . 0.0 110.941 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -126.58 147.66 49.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.29 145.18 36.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.436 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 9.9 m170 -95.74 -169.44 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.801 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.422 ' CE2' HG21 ' A' ' 21' ' ' THR . 30.9 m-85 -145.03 132.49 20.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.77 133.57 33.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.819 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.8 p -94.92 18.91 11.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.48 26.72 10.41 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.751 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -115.18 -37.51 4.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.824 0.345 . . . . 0.0 111.012 -179.885 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.1 p -150.11 162.96 39.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.967 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.2 m -72.1 -28.13 63.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.949 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -61.4 126.11 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 86.4 m -86.99 148.48 45.46 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.81 142.39 43.2 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.614 2.209 . . . . 0.0 112.299 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.4 p -98.3 35.91 1.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.428 ' N ' ' CD2' ' A' ' 42' ' ' TYR . 2.4 p90 -156.25 84.9 3.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.98 160.12 50.8 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.596 2.197 . . . . 0.0 112.283 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.43 -1.205 . . . . 0.0 112.503 179.93 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.75 78.71 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.4 p -75.4 107.24 7.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.44 -164.98 11.76 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.63 -26.87 15.91 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.555 2.17 . . . . 0.0 112.473 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.1 29.49 3.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.075 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.2 m -145.17 115.14 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -59.31 -21.64 60.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.204 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 174.88 -29.05 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.326 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.0 t -162.55 -44.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -73.68 119.21 17.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.3 143.46 53.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -64.07 149.14 94.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.6 145.43 59.01 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.607 2.205 . . . . 0.0 112.277 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.78 107.41 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.025 179.86 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.68 26.36 3.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.2 m -104.16 163.32 12.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.312 . . . . 0.0 110.762 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.421 HG21 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -95.81 120.22 35.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.895 -179.85 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.1 p -106.08 -37.12 6.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.782 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.416 ' CZ3' HG23 ' A' ' 25' ' ' THR . 0.0 OUTLIER -114.39 134.7 54.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -149.18 60.07 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.416 HG23 ' CZ3' ' A' ' 23' ' ' TRP . 2.9 t -69.49 70.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 t 79.04 -56.37 0.44 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.107 -179.876 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.6 p -138.62 -41.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.405 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.33 150.76 34.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.976 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.2 t -156.9 150.06 24.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -109.75 -30.87 7.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.042 -179.89 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.421 ' CE1' HG21 ' A' ' 21' ' ' THR . 40.6 m-85 60.79 172.37 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.817 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.6 m -129.87 142.78 50.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.3 t -108.6 26.65 10.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.08 32.12 59.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.613 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -107.18 -33.13 7.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.958 -179.937 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.88 173.12 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.57 -30.57 66.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -69.47 109.76 4.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.2 m -69.36 142.97 92.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.72 142.87 72.28 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.506 2.137 . . . . 0.0 112.279 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -68.09 -33.03 73.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -59.33 109.72 2.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.13 100.73 0.76 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.407 2.071 . . . . 0.0 112.266 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.084 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.462 179.949 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.8 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.825 0.345 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.1 172.89 7.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.33 132.75 51.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.06 157.1 12.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.537 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.29 -27.84 32.21 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.586 2.191 . . . . 0.0 112.397 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.5 m -92.44 48.37 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.962 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -161.98 129.05 3.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.05 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -85.93 56.98 4.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.741 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.53 6.84 5.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.488 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -179.71 -68.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.797 0.332 . . . . 0.0 111.057 179.945 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -76.96 138.73 39.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.007 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.41 152.97 27.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -69.77 157.44 89.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.69 144.75 52.15 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.617 2.212 . . . . 0.0 112.315 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.7 107.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.046 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.29 27.31 3.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -111.44 142.76 43.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.42 HG22 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -77.68 143.93 37.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.7 p -123.44 -42.7 2.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.402 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.4 OUTLIER -95.7 -69.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.951 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.2 tttp 61.01 34.87 19.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.402 ' OG1' ' CD1' ' A' ' 23' ' ' TRP . 9.3 m -80.56 154.27 27.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -59.8 -31.42 69.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -76.72 -31.16 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 m -173.56 132.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.4 p -107.34 93.5 4.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.415 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 19.0 m170 -79.33 157.32 27.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.42 ' CZ ' HG22 ' A' ' 21' ' ' THR . 11.2 m-85 -127.53 172.41 10.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.1 m -108.73 126.3 52.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.786 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.7 p -96.09 22.26 7.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.133 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.23 25.94 19.9 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.696 179.862 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.51 -33.53 6.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.865 0.364 . . . . 0.0 110.949 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 m -155.59 164.43 38.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.8 m -72.3 -27.13 62.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -63.15 159.41 17.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 80.9 m -111.98 92.32 17.77 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -50.04 145.46 19.44 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.62 2.213 . . . . 0.0 112.384 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.415 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 26.0 p -59.68 -27.91 66.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 13.4 p90 -102.29 93.19 3.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.76 90.5 0.35 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.462 2.108 . . . . 0.0 112.273 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.519 179.972 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.801 0.334 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.9 m 61.22 115.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.6 160.39 15.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.36 177.91 28.21 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.19 -25.18 37.31 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.542 2.161 . . . . 0.0 112.35 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.0 t -98.58 31.72 2.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -160.63 108.15 1.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -80.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 -179.912 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.51 -19.94 7.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.503 -179.839 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.5 t -167.11 -42.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 111.085 -179.815 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -76.94 152.98 35.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.37 145.02 30.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -59.62 164.01 6.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.02 146.03 81.17 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.589 2.193 . . . . 0.0 112.351 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.52 152.53 17.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 64.82 26.71 71.34 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.2 m -123.39 157.4 33.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 110.802 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.64 143.74 44.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.7 p -119.71 -40.87 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 15.9 t90 -95.28 -71.06 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.026 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 tttm 58.31 101.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.6 t -134.12 64.11 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 78.05 -56.51 0.49 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.064 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.5 p -133.24 -44.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.192 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.19 77.74 3.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.3 p -103.81 114.6 28.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -85.28 132.73 34.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -92.32 152.38 19.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.21 149.6 28.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.3 t -109.24 23.19 14.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.09 32.24 49.71 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.71 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -114.96 -69.21 0.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.996 0.427 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.1 p -120.26 162.65 19.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.2 m -71.94 -28.4 63.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -82.0 99.44 9.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.8 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.9 m -58.75 148.86 66.42 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.18 177.64 6.33 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.568 2.178 . . . . 0.0 112.316 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 m -98.77 32.1 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -133.83 87.59 35.2 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.86 97.26 0.64 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.575 2.184 . . . . 0.0 112.305 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.412 -1.216 . . . . 0.0 112.52 -179.996 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.813 0.339 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m 59.24 171.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.9 p -134.59 150.36 50.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.99 157.09 8.25 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.39 -28.17 34.26 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.601 2.201 . . . . 0.0 112.31 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.8 t -63.23 -46.09 88.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.4 p -102.42 149.45 24.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -74.31 -77.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -133.97 6.72 3.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.481 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 177.81 -38.21 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.874 0.369 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -93.89 140.94 29.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 pp -105.14 148.3 27.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -59.9 153.67 52.96 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.7 144.37 43.23 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.59 2.193 . . . . 0.0 112.297 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.48 106.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.05 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.93 27.92 3.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.5 m -121.14 162.05 20.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.97 145.25 34.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.8 p -119.26 -41.13 2.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.447 ' CD1' ' CG2' ' A' ' 25' ' ' THR . 4.6 t90 -93.71 -65.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 tttt 60.76 78.93 0.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.447 ' CG2' ' CD1' ' A' ' 23' ' ' TRP . 25.6 p -117.25 172.41 7.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.6 t -77.19 -30.65 54.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.02 -35.94 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -178.39 124.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.1 m -89.04 136.53 32.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -104.27 152.46 22.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -122.49 172.18 8.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.7 m -123.98 150.63 44.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.0 t -112.13 24.52 12.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.998 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.4 31.95 57.34 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.604 179.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -105.72 -66.57 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.978 0.418 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.3 t -128.53 171.35 12.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.4 m -75.08 -31.11 61.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -68.09 127.22 32.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.5 m -76.53 152.34 83.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.52 170.28 16.65 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.578 2.185 . . . . 0.0 112.342 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.8 m -108.92 -31.47 7.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 42.0 p90 -85.03 110.71 30.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.07 108.2 2.09 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.437 2.091 . . . . 0.0 112.295 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.449 -1.195 . . . . 0.0 112.524 -179.99 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 81.1 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.873 0.368 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.6 p -58.92 116.35 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.51 126.81 52.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.28 -175.31 44.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.48 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.25 -27.61 34.59 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.587 2.192 . . . . 0.0 112.247 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 m -84.39 -27.43 27.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.027 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.3 m -102.66 166.15 10.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.001 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -179.74 130.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.683 179.957 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 64.4 14.35 8.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.282 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.6 t 76.05 67.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.793 -179.815 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.27 107.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.793 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.45 129.73 43.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.006 -179.917 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -60.5 147.41 83.04 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.08 145.14 65.91 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.575 2.183 . . . . 0.0 112.321 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.16 112.31 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 179.886 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.78 18.48 6.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.654 -179.922 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.4 m -110.42 131.86 54.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.776 0.322 . . . . 0.0 110.815 179.919 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.8 t -55.93 159.9 3.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 -179.894 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.7 p -149.56 30.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.444 ' CH2' ' CG2' ' A' ' 25' ' ' THR . 0.2 OUTLIER -176.52 172.3 2.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 -179.961 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.3 pttt -176.05 70.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.444 ' CG2' ' CH2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -69.54 70.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.926 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m 78.28 -56.39 0.48 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.075 -179.884 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.64 -44.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.229 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.09 150.0 35.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.962 -179.922 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.2 p -147.5 -179.58 6.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.965 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.403 ' CE1' ' O ' ' A' ' 40' ' ' PRO . 5.2 m-70 -131.63 133.94 45.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -91.27 122.6 34.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.009 -179.935 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -76.29 140.16 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 179.868 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.2 p -95.74 18.2 13.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.185 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.64 31.85 23.44 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.734 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -108.31 -67.26 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.985 0.422 . . . . 0.0 111.009 -179.946 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -125.07 170.83 10.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -32.19 66.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -68.89 111.44 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 91.2 m -62.93 155.37 72.39 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.403 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 45.5 Cg_endo -68.45 175.73 6.59 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.541 2.161 . . . . 0.0 112.244 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 m -109.68 35.07 3.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -147.03 147.78 30.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.66 106.24 1.93 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.537 2.158 . . . . 0.0 112.357 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.5 -179.98 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 59.7 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.795 0.331 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.6 m 64.74 160.6 0.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.73 141.85 47.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.2 164.26 15.75 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.465 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.82 63.47 0.58 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.881 2.387 . . . . 0.0 112.351 -179.86 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.8 t -176.86 36.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.4 p -177.57 133.53 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.812 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -59.77 -77.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -134.49 6.22 3.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.498 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 175.11 -38.58 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.876 0.369 . . . . 0.0 110.743 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.88 135.76 40.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.978 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.87 134.28 36.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -59.89 157.32 30.65 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.89 143.4 72.01 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.572 2.181 . . . . 0.0 112.359 -179.937 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.54 103.6 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.006 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.31 32.05 1.43 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.0 m -107.72 141.86 38.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 110.72 179.88 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.0 132.26 45.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.002 -179.918 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 p -121.33 -42.63 2.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -97.14 129.3 44.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -135.77 43.61 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.15 172.71 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -84.98 57.31 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 p -171.44 -41.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.5 m -165.55 161.55 18.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.7 p -131.49 130.8 42.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.404 ' N ' ' CD2' ' A' ' 30' ' ' HIS . 11.9 m170 -96.91 -174.22 2.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -131.71 172.42 12.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.09 157.16 18.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.1 p -111.72 17.09 20.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.196 179.935 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.93 33.93 21.89 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.755 179.936 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -116.05 -37.82 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.086 -179.87 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.0 p -135.64 155.88 49.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.5 m -71.75 -25.6 62.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -77.14 141.04 40.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.97 -179.893 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.0 t -83.28 134.98 44.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.783 179.875 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.74 161.67 45.24 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.448 2.098 . . . . 0.0 112.364 -179.933 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.4 t -118.31 38.42 3.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -113.42 89.97 16.21 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -51.62 125.92 18.17 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.554 2.169 . . . . 0.0 112.357 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.479 -179.979 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.872 0.368 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.0 m 59.14 162.51 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -134.48 117.55 16.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.47 -169.62 27.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.9 -26.04 27.3 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.549 2.166 . . . . 0.0 112.328 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.91 39.42 1.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 72.2 m -153.3 136.04 15.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -69.72 -28.26 65.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.996 179.934 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 167.13 -28.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.336 -179.944 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -137.29 -46.4 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.941 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.31 173.87 8.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.433 ' CD1' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -120.22 154.8 34.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.918 179.901 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -58.49 153.79 37.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.969 -179.916 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.39 149.08 92.13 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.566 2.178 . . . . 0.0 112.34 179.941 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.74 109.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.218 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.5 22.35 5.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.671 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.0 m -99.07 164.0 12.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.79 0.329 . . . . 0.0 110.953 179.939 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.45 ' CG2' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -107.34 137.84 44.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.968 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.3 p -135.93 -46.18 0.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -85.54 165.1 17.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -176.7 78.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.73 63.73 7.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m 77.79 -56.32 0.5 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.27 -44.24 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.177 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -77.02 121.21 23.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.949 -179.856 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.5 t -134.34 101.33 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -69.73 173.1 6.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.45 ' CE2' ' CG2' ' A' ' 21' ' ' THR . 7.2 m-85 -132.08 172.28 12.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 98.6 m -111.51 161.33 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.1 t -118.71 25.81 9.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.014 179.919 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.16 32.74 57.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.621 179.923 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -108.23 -32.8 7.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -169.69 173.29 6.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.2 m -71.2 -30.64 66.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.826 179.916 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.48 100.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 95.2 m -59.16 109.61 2.03 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -68.91 177.33 5.09 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.436 2.091 . . . . 0.0 112.315 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.2 m -102.16 41.93 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -114.57 87.51 14.34 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.2 -176.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.548 2.166 . . . . 0.0 112.315 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.517 -179.973 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.1 107.13 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.2 p -105.44 130.28 53.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.6 -160.18 25.25 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.83 -27.1 18.28 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.567 2.178 . . . . 0.0 112.425 -179.899 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 t -106.52 27.25 8.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.122 -179.938 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.7 m -143.21 128.01 18.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -60.48 -80.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -135.86 6.86 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.553 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.3 t -178.49 -44.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.82 0.343 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -92.76 165.93 12.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.891 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.59 166.7 10.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -70.15 153.44 95.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.34 147.11 37.94 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.607 2.205 . . . . 0.0 112.316 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.67 108.45 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.31 25.85 4.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.475 -179.911 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.4 m -121.67 133.03 54.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -59.04 172.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.955 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.9 p -145.7 -46.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.41 ' CE3' ' CG2' ' A' ' 25' ' ' THR . 0.7 OUTLIER -63.78 -69.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? 55.3 74.58 0.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.038 179.832 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.41 ' CG2' ' CE3' ' A' ' 23' ' ' TRP . 1.1 t -128.82 172.56 11.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.869 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 p -57.11 -21.35 31.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.429 -179.768 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.3 t -83.18 -53.55 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.921 0.391 . . . . 0.0 111.126 -179.874 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.4 t -179.05 -166.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.42 153.59 46.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.785 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -115.78 114.19 24.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -71.74 116.64 12.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 59.1 m -68.4 142.41 55.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -96.56 21.4 9.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.88 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.88 28.22 31.2 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.751 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -106.08 -34.11 7.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.779 0.323 . . . . 0.0 110.995 -179.895 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.9 p -171.55 173.11 4.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 -179.93 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -30.98 66.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.69 96.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.946 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.3 m -62.96 149.37 90.47 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.04 177.42 5.79 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.566 2.177 . . . . 0.0 112.352 179.93 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -109.95 31.67 5.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.414 ' CD2' ' N ' ' A' ' 42' ' ' TYR . 4.1 m-85 -118.47 82.81 19.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.21 137.79 54.86 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.551 2.167 . . . . 0.0 112.285 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.534 179.945 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.831 0.348 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.16 108.35 20.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.8 p -109.41 158.6 17.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.79 -178.23 19.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.49 -32.4 19.76 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.55 2.167 . . . . 0.0 112.316 179.931 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.1 t -98.82 31.45 2.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 96.8 m -152.61 146.04 24.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -102.68 71.77 1.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 68.2 -68.59 0.17 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.011 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.13 39.17 3.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -154.01 143.81 21.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.11 144.1 27.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -75.0 157.73 85.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.72 143.96 57.99 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.508 2.138 . . . . 0.0 112.319 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.42 162.19 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.049 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.3 23.28 57.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.528 -179.915 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.3 m -118.6 127.47 53.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 110.832 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 t -59.35 168.9 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.8 p -145.56 -46.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -88.37 156.5 19.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -151.22 80.36 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.84 64.06 8.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 78.01 -56.61 0.49 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.047 -179.915 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.02 -44.83 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.175 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.45 152.05 39.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -148.66 178.8 8.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -126.83 123.11 36.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -80.36 118.31 21.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.62 142.22 27.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.6 p -98.85 17.77 18.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.242 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.38 27.34 16.58 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.812 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -102.06 -33.45 9.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.763 0.316 . . . . 0.0 110.962 -179.949 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -152.79 167.46 28.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 69.3 m -71.65 -30.57 65.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -78.57 107.99 11.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.5 m -60.17 149.76 73.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.26 177.46 5.9 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.598 2.199 . . . . 0.0 112.327 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.0 m -103.72 32.37 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -109.45 86.95 4.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.9 95.03 0.55 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.581 2.187 . . . . 0.0 112.299 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.499 -179.992 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.799 0.333 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.17 161.42 13.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.81 139.29 53.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.5 -178.09 26.3 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.53 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 -29.97 23.43 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.599 2.199 . . . . 0.0 112.3 179.929 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.0 t -72.12 -30.42 65.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.9 m -100.7 153.47 19.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -90.92 51.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.812 179.937 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? 71.99 8.11 5.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.515 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.53 -63.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.774 0.321 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -91.86 145.88 24.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 -179.84 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 pp -82.89 157.16 23.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -78.96 161.29 69.11 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.26 145.08 83.05 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.612 2.208 . . . . 0.0 112.355 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.83 112.36 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.09 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.16 25.9 4.25 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.582 179.943 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.3 m -129.47 144.8 51.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.419 HG22 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -59.89 172.62 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.947 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.3 p -157.72 -45.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.443 ' CE2' ' CG2' ' A' ' 25' ' ' THR . 9.7 t90 -74.5 -68.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.65 107.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.969 179.914 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.443 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 18.0 p -133.38 63.71 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 77.63 -56.58 0.51 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.03 -179.922 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.8 m -132.59 -44.84 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.181 -179.987 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -83.13 134.32 35.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.5 p -152.71 152.93 32.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -108.78 133.77 52.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.419 ' CE1' HG22 ' A' ' 21' ' ' THR . 4.4 m-85 -93.73 126.73 39.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.78 141.07 49.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.5 t -96.26 21.54 8.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.79 26.56 17.93 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.759 179.936 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.08 -33.58 6.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.828 0.347 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.3 m -159.7 172.67 17.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.83 -29.43 64.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.17 142.23 52.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 71.7 m -104.12 90.23 2.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.22 175.08 7.16 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.536 2.157 . . . . 0.0 112.265 -179.971 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.5 p -85.24 57.24 4.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -122.65 73.05 42.36 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.48 -167.97 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.574 2.183 . . . . 0.0 112.291 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.533 -179.981 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.4 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.793 0.33 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.57 172.59 4.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.75 169.57 17.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.51 168.2 11.81 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.3 -54.7 4.77 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.538 2.159 . . . . 0.0 112.311 179.976 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.66 -28.27 67.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.29 123.19 20.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.3 ttm-85 -79.76 -21.6 44.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 179.943 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 167.6 -29.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.321 -179.906 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.2 t -151.1 -46.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.818 179.926 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.1 mtmm -90.66 168.36 11.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.45 139.77 32.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.974 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -58.88 165.92 2.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.72 146.57 84.21 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.577 2.185 . . . . 0.0 112.338 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.88 165.19 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.077 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.42 19.79 48.74 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.567 -179.95 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.8 m -109.36 122.11 46.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.8 0.333 . . . . 0.0 110.81 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.409 HG21 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -60.02 154.95 17.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.973 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.2 p -162.26 41.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 -179.929 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -176.59 160.45 2.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -162.33 117.83 1.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.679 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.36 77.63 1.76 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 -179.811 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 t 54.68 79.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.305 179.688 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.4 t 71.61 30.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.077 179.777 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.41 169.51 15.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.779 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.6 p -177.12 137.57 0.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.406 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 5.2 m170 -113.11 133.51 54.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.783 179.922 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.409 ' CZ ' HG21 ' A' ' 21' ' ' THR . 78.9 m-85 -102.68 140.26 37.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.006 -179.866 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.9 m -81.38 156.36 25.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.791 179.904 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.5 t -108.5 21.23 17.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.079 -179.993 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.65 27.63 27.72 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.674 179.891 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.4 -33.81 9.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.0 t -154.95 172.5 17.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 m -73.1 -30.24 63.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.6 156.63 32.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 88.4 m -105.27 87.97 2.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.0 172.37 12.02 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.578 2.185 . . . . 0.0 112.287 -179.973 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.406 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 0.8 OUTLIER -86.01 57.45 4.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.984 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -122.22 79.73 44.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.92 -169.0 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.555 2.17 . . . . 0.0 112.288 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.492 179.957 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.803 0.335 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.9 p -88.44 129.56 35.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.0 m -114.9 139.52 49.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.78 -169.49 31.21 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.7 -30.32 18.06 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.595 2.197 . . . . 0.0 112.372 179.977 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -98.98 29.84 3.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.5 m -147.52 141.32 25.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 179.957 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -90.35 51.99 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 179.898 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 73.19 6.2 5.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.499 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 54.1 t -178.91 -56.9 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.838 0.352 . . . . 0.0 110.951 179.959 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -69.08 167.44 16.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.033 -179.893 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.4 131.33 54.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -59.42 148.7 72.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.31 144.98 92.55 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.607 2.204 . . . . 0.0 112.346 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.3 122.43 17.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.44 22.92 7.51 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.597 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.7 m -115.81 139.09 50.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.855 0.359 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.444 ' CG2' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -76.27 142.35 41.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.995 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.8 p -118.63 -40.78 2.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -94.03 109.82 21.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -108.26 35.16 3.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.2 172.5 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.4 m -95.99 61.55 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -176.59 -39.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.142 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -163.62 163.28 24.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.7 p -138.33 161.0 38.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.402 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.5 m-70 -134.02 149.04 51.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.444 ' CZ ' ' CG2' ' A' ' 21' ' ' THR . 9.4 m-85 -114.12 156.76 23.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 m -100.48 168.02 10.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.1 t -122.37 26.0 8.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.28 27.58 47.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.656 179.941 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 -107.54 -38.34 5.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 m -164.74 167.39 19.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -28.9 63.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -59.82 96.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 95.6 m -61.68 149.57 84.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.12 160.54 49.25 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.572 2.181 . . . . 0.0 112.302 179.966 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.9 p -108.18 33.56 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -136.05 86.41 26.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.76 112.9 3.2 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.551 2.167 . . . . 0.0 112.347 179.934 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.331 -1.26 . . . . 0.0 112.476 -179.996 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.7 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.826 0.346 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.0 m -86.91 112.41 21.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.8 138.81 52.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.72 162.86 29.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.577 179.976 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.25 -26.0 42.32 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.598 2.199 . . . . 0.0 112.428 179.939 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.1 t -102.64 35.93 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -160.05 104.83 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.032 -179.872 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.57 82.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.56 179.766 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 71.86 -65.36 0.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -131.74 -32.75 1.45 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.589 -179.81 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -79.07 129.95 34.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.846 0.355 . . . . 0.0 111.058 -179.69 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.36 151.47 19.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -66.58 155.94 87.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -57.31 144.59 90.71 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.584 2.189 . . . . 0.0 112.297 -179.932 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.82 107.89 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.007 179.876 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.1 26.54 3.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.587 -179.921 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.4 m -121.41 142.4 50.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.782 0.325 . . . . 0.0 110.807 179.919 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.41 HG21 ' CD1' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -81.73 139.13 35.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 -179.984 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 p -113.49 -36.8 4.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -103.71 -177.41 3.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -179.34 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.9 t -58.34 172.96 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.073 -179.988 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.5 t 64.03 16.85 10.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.287 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.7 t 69.24 30.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.937 0.399 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.7 p -151.23 134.0 15.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.999 -179.935 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.13 84.14 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.925 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -59.63 151.32 25.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.41 ' CD1' HG21 ' A' ' 21' ' ' THR . 3.2 m-85 -102.31 172.51 6.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.16 125.75 44.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.949 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.2 t -97.24 20.34 11.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.881 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.01 27.16 21.19 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.69 179.901 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -99.57 -34.57 10.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.34 . . . . 0.0 110.981 -179.861 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -139.95 159.59 41.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.5 m -72.16 -26.8 62.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.026 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -96.38 139.73 32.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 32.6 m -59.96 148.46 76.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.55 177.85 6.32 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.52 2.147 . . . . 0.0 112.33 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -106.27 36.62 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -137.95 151.51 70.32 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.89 -27.03 26.37 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.552 2.168 . . . . 0.0 112.366 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.343 -1.254 . . . . 0.0 112.504 179.986 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.797 0.332 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.08 137.14 43.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.4 p -108.59 143.64 37.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.12 -174.92 30.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.52 -34.55 15.12 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.608 2.206 . . . . 0.0 112.292 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 54.0 t -71.29 -31.45 67.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.2 m -91.85 118.7 30.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -60.04 -72.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -133.66 6.62 3.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.58 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 179.26 -62.06 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.798 0.333 . . . . 0.0 110.987 179.949 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -85.93 157.85 20.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.987 -179.856 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.58 152.65 25.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -67.09 160.77 68.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.66 145.46 38.6 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.562 2.175 . . . . 0.0 112.376 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.24 112.67 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 -179.98 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.26 26.84 6.09 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.557 -179.973 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.2 m -111.28 164.88 12.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.832 0.349 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.41 HG21 ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -81.65 154.95 25.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.978 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.8 p -157.21 -45.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.402 ' CZ2' HG22 ' A' ' 25' ' ' THR . 19.2 t90 -108.4 106.7 16.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -119.28 88.2 2.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.402 HG22 ' CZ2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -95.43 159.3 15.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.996 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 p -60.3 -31.25 70.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.52 -33.39 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.3 p -176.85 -173.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -149.63 134.73 18.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -106.73 176.82 5.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.41 ' CZ ' HG21 ' A' ' 21' ' ' THR . 31.3 m-85 -130.91 159.18 38.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 t -91.31 150.48 21.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.69 17.71 23.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.21 179.953 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.07 23.19 23.33 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.796 179.932 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -116.59 -33.21 4.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.717 0.294 . . . . 0.0 111.075 179.985 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -148.72 163.47 37.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.98 -28.65 63.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -74.41 108.91 7.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.9 m -59.73 110.53 2.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -52.09 171.78 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.461 2.107 . . . . 0.0 112.287 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -102.47 34.64 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -123.41 79.72 53.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.17 113.45 1.2 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.536 2.157 . . . . 0.0 112.311 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.505 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.827 0.346 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.86 174.19 10.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -98.42 35.36 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 52.7 m -97.75 -31.39 12.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.4 m 60.22 75.61 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.4 p -57.99 116.42 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.991 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.27 166.56 34.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.548 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.6 -26.29 28.78 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.621 2.214 . . . . 0.0 112.386 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.1 t -98.22 30.37 3.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.967 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 m -162.14 119.17 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.82 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.7 mtt85 -72.54 -76.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -109.63 -27.03 9.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -172.32 -40.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.8 154.45 40.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.796 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.99 140.51 38.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.0 152.11 14.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.054 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.71 144.69 42.03 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.589 2.193 . . . . 0.0 112.392 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.55 108.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.032 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.7 25.42 4.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.548 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 78.7 m -113.46 109.59 18.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 110.776 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.8 107.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.7 p -75.14 -42.82 55.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -114.37 123.77 50.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -122.54 79.42 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.51 166.78 10.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.17 -31.47 67.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 m -74.38 -33.04 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.92 -170.07 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.6 p -160.58 138.45 9.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -101.98 157.32 16.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -124.64 171.49 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 99.4 m -111.56 125.9 54.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.5 p -96.32 21.64 8.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.076 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.42 27.15 16.3 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.781 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.01 -68.11 0.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.954 0.407 . . . . 0.0 111.023 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.4 t -124.9 169.65 11.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.1 m -79.13 -27.01 42.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -62.12 100.95 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.0 m -59.16 110.1 2.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.63 163.16 1.98 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.437 2.091 . . . . 0.0 112.289 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.6 p -104.16 32.87 3.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -115.45 83.74 11.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.21 -176.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.59 2.193 . . . . 0.0 112.312 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.36 -1.245 . . . . 0.0 112.514 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.827 0.346 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.7 ptm -152.23 92.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -176.83 -40.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 m -164.39 -43.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.4 m 61.3 155.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 p -130.78 172.02 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.17 -176.16 23.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.8 -27.71 21.18 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.532 2.155 . . . . 0.0 112.369 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.8 t -72.94 -47.12 48.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.9 p -103.08 135.24 45.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -59.74 -74.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -135.42 6.32 3.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.585 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.5 t -178.8 -50.22 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.797 0.332 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -84.75 136.48 33.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.957 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.77 150.96 21.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -60.06 162.9 8.92 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.06 145.96 90.28 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.627 2.218 . . . . 0.0 112.328 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.14 115.91 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.72 17.59 6.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.681 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.02 172.39 6.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 110.916 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.417 HG21 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -90.85 161.19 15.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.0 p -142.65 -46.81 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -113.82 111.87 22.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -109.79 78.8 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.9 172.46 10.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -92.45 49.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -178.49 -38.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 t -150.3 144.82 25.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -130.09 144.49 51.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -103.48 -177.93 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.417 ' CE2' HG21 ' A' ' 21' ' ' THR . 69.4 m-85 -143.74 165.1 28.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 88.9 m -101.88 130.02 48.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.7 t -95.2 18.36 12.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.4 27.1 24.2 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.71 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 -111.49 -33.94 6.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 0.0 110.958 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -171.44 172.98 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 38.0 m -71.74 -30.94 66.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -60.38 86.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.74 110.84 6.08 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.812 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.431 ' HG2' ' CE1' ' A' ' 42' ' ' TYR . 37.5 Cg_endo -66.18 176.32 4.03 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.37 2.047 . . . . 0.0 112.318 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 t -112.81 69.46 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.439 ' O ' ' CD2' ' A' ' 42' ' ' TYR . 15.2 p90 -114.46 61.1 1.12 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.976 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.55 106.85 0.93 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.554 2.169 . . . . 0.0 112.257 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.423 -1.209 . . . . 0.0 112.514 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.883 0.373 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.0 ttt -166.79 -61.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -144.38 158.47 43.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.0 m -132.19 108.51 9.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.18 85.25 5.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.1 p -57.15 108.76 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.006 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.32 -166.89 16.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.429 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -82.31 48.71 2.89 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.765 2.31 . . . . 0.0 112.682 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER 178.96 36.56 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.827 0.346 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 m -163.24 118.69 1.72 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -125.08 128.84 49.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.688 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 63.42 16.08 9.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.175 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.5 t 78.53 61.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -152.79 110.66 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.775 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.54 120.5 7.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -59.06 165.28 3.61 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.83 144.8 84.57 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.602 2.201 . . . . 0.0 112.345 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.18 111.15 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.978 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.69 24.27 4.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.583 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.0 m -97.92 129.84 44.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.835 0.35 . . . . 0.0 110.826 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.417 HG21 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -60.66 150.86 30.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.936 -179.868 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.0 p -141.0 -47.19 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.65 125.19 40.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -127.78 34.74 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.49 173.06 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.61 49.16 1.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -152.56 -45.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.166 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -175.53 122.52 0.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.2 m -84.77 159.21 20.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -128.33 -178.7 4.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.417 ' CZ ' HG21 ' A' ' 21' ' ' THR . 23.3 m-85 -139.06 169.94 16.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 90.4 m -97.59 154.03 17.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -110.7 22.71 15.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.101 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.44 27.09 32.44 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.742 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -106.07 -35.88 7.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 110.978 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.6 t -157.86 168.81 26.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.5 m -73.84 -29.06 61.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.31 136.07 57.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.8 t -78.88 118.99 75.61 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -51.62 149.1 19.36 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.448 2.099 . . . . 0.0 112.338 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.0 t -98.65 30.86 3.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -148.72 148.37 27.69 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.97 99.51 0.88 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.522 2.148 . . . . 0.0 112.31 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.337 -1.257 . . . . 0.0 112.458 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.76 0.314 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 51.1 mtt -86.87 165.52 15.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -148.41 -60.06 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.1 m -158.18 -44.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.1 m 61.39 154.68 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.21 157.81 28.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.08 164.1 12.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.28 -27.27 30.0 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.524 2.15 . . . . 0.0 112.336 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.4 t -75.5 -49.33 19.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.6 p -100.18 122.75 43.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -75.77 -70.48 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -109.68 -28.2 8.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.4 t -176.38 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -77.45 105.85 8.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -76.43 149.32 36.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -59.12 150.28 63.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.82 148.3 37.88 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.48 108.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.095 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.6 23.69 5.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.523 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.2 m -123.28 137.75 54.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.775 0.322 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.5 t -54.36 147.37 13.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.8 p -122.98 -43.21 2.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.414 ' CZ2' HG23 ' A' ' 25' ' ' THR . 14.8 t90 -85.86 -69.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.4 tttm 61.36 105.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.414 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -143.32 172.48 12.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.6 t -64.79 -30.59 71.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.949 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.3 m -79.43 -36.82 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.211 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -179.9 -176.55 0.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -134.93 156.81 48.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.404 ' CE1' ' O ' ' A' ' 40' ' ' PRO . 23.2 m170 -118.56 117.6 29.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -81.63 114.37 20.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.0 t -64.41 147.81 51.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.4 p -94.31 12.82 25.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.308 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.24 26.66 21.78 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.839 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -129.23 -44.37 1.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.348 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.65 152.45 51.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.2 m -72.11 -23.53 61.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -62.78 97.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 71.9 m -63.3 147.41 95.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.404 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 51.7 Cg_exo -52.77 177.51 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.528 2.152 . . . . 0.0 112.302 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 m -111.48 -33.5 6.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -110.69 156.11 41.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.93 147.52 61.97 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.56 2.173 . . . . 0.0 112.314 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.451 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.817 0.342 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.3 ptp -131.43 33.03 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -140.39 79.29 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 m -108.36 -27.68 9.83 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 t 43.48 93.69 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.461 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 m -106.98 168.65 9.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.01 -166.76 35.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.37 -39.98 79.71 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.589 2.192 . . . . 0.0 112.316 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.06 26.37 5.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.8 m -151.38 123.93 8.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.8 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -80.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.824 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -137.1 6.2 2.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.573 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.7 t -178.34 -43.58 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -88.8 159.42 17.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -116.59 153.46 32.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -59.42 150.17 66.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.94 144.4 45.24 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.579 2.186 . . . . 0.0 112.334 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.83 107.07 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.058 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.89 27.13 3.59 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.529 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.5 m -118.26 157.01 27.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.99 138.78 38.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.8 p -115.88 -39.27 3.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.414 ' CD2' HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -117.5 130.47 56.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -133.22 31.45 3.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.414 HG23 ' CD2' ' A' ' 23' ' ' TRP . 9.6 t -61.27 172.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.5 t -88.59 53.62 2.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -152.48 -45.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.185 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.2 p -176.0 115.39 0.13 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -73.57 150.23 41.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -118.42 -179.48 3.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -140.95 172.42 12.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.92 137.05 54.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.7 t -103.84 23.54 12.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.05 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.13 34.41 52.88 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.657 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -114.67 -69.08 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.966 0.412 . . . . 0.0 110.981 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -134.19 172.29 13.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.8 m -72.85 -32.73 65.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -59.32 100.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 77.0 m -61.41 148.58 85.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.75 177.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.504 2.136 . . . . 0.0 112.343 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.4 t -123.09 30.25 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.406 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 12.6 p90 -173.23 84.2 0.4 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.99 154.43 66.83 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.537 2.158 . . . . 0.0 112.315 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.49 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.807 0.337 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.4 tmm? -98.4 37.07 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.36 -49.71 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.1 m 60.63 110.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.65 172.09 6.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.72 156.79 19.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.8 167.84 12.82 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.84 59.16 5.0 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.659 2.239 . . . . 0.0 112.464 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -179.21 37.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.918 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.3 140.65 17.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.4 51.88 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 73.02 5.72 5.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.554 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -179.83 -54.8 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.822 0.344 . . . . 0.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -82.06 139.73 34.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.31 148.96 22.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -59.7 153.38 52.52 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.44 143.97 42.54 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.61 2.207 . . . . 0.0 112.302 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.54 108.62 1.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.93 26.78 3.71 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.0 m -103.86 167.68 9.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.785 0.326 . . . . 0.0 110.814 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.415 HG21 ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -105.27 108.91 20.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.4 p -98.23 -31.46 12.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -123.45 124.5 43.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -135.49 38.17 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.6 m -60.36 156.07 16.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.7 -29.88 68.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -72.67 -32.51 41.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.2 p -176.58 170.84 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.9 p -140.55 113.99 8.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.405 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 9.2 m170 -96.15 -177.29 3.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.415 ' CZ ' HG21 ' A' ' 21' ' ' THR . 28.8 m-85 -140.67 172.16 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.59 127.72 54.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.5 p -97.01 22.81 7.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.91 29.65 35.12 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.707 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -112.12 -34.24 6.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.338 . . . . 0.0 111.002 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.3 m -145.52 172.98 12.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.1 m -96.43 10.61 37.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.266 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -119.34 124.51 46.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.834 0.349 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.3 m -59.73 110.42 2.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.09 157.69 5.93 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.428 2.086 . . . . 0.0 112.317 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 p -60.15 -32.92 71.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -101.96 149.73 36.79 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.12 -177.59 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.599 2.2 . . . . 0.0 112.312 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.487 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.829 0.347 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 70.3 mtp -155.4 31.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.53 141.25 29.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.1 m -85.51 -32.7 22.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 60.3 172.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.62 141.5 35.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.55 159.32 10.58 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.54 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.55 62.15 2.87 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.574 2.183 . . . . 0.0 112.346 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -177.19 37.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.2 p -170.53 155.52 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.6 51.77 2.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 72.04 6.52 5.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.576 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 t -176.61 -51.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -81.03 122.14 26.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.2 140.79 29.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -58.83 155.34 31.85 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.54 146.28 43.59 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.558 2.172 . . . . 0.0 112.342 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.6 108.11 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.33 23.48 4.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.56 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.5 m -112.16 113.88 26.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.366 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 t -58.2 166.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.047 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.5 p -135.55 -46.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -83.19 137.22 34.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -133.68 73.37 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.31 63.41 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 77.7 -56.52 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.024 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 p -135.22 -43.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.232 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.8 m -60.01 146.59 42.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.55 144.77 10.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -106.87 108.99 20.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -73.42 116.55 14.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.6 m -74.13 147.51 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.806 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 65.1 p -99.5 18.13 18.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.179 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.16 32.28 12.87 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.768 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -112.08 -34.13 6.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.987 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -146.8 172.46 13.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.8 m -75.43 -30.63 60.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -58.42 158.91 6.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.4 m -114.09 88.21 14.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_exo -51.66 174.3 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.54 2.16 . . . . 0.0 112.333 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 m -98.13 36.45 1.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -106.91 80.07 0.74 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -26.96 27.15 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.544 2.163 . . . . 0.0 112.322 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.455 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.798 0.333 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.1 ttt -106.14 34.95 3.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -83.64 -64.22 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.8 m -158.92 -43.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.013 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 p 59.0 109.22 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.7 p -88.87 144.03 26.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.66 169.89 33.46 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.78 -27.66 53.68 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.601 2.201 . . . . 0.0 112.365 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.1 t -79.3 -30.38 42.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 m -100.69 136.8 39.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.03 -67.72 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -111.45 -27.33 8.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.8 t -175.08 -39.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.969 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.92 155.91 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.65 145.66 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.839 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -59.29 150.39 63.94 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.81 148.15 38.33 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.677 2.251 . . . . 0.0 112.411 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.27 115.11 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.94 21.1 8.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.427 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.3 m -114.23 132.57 56.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.826 0.345 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 1.6 t -59.11 133.54 56.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.6 p -102.53 -31.59 10.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.761 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.417 ' CZ2' HG22 ' A' ' 25' ' ' THR . 22.7 t90 -132.7 144.63 50.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -134.09 116.34 15.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.417 HG22 ' CZ2' ' A' ' 23' ' ' TRP . 0.2 OUTLIER -124.39 156.62 36.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.7 t -60.1 -33.18 71.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.7 m -82.19 -32.91 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.178 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -177.64 168.44 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.44 -178.71 4.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -119.46 179.95 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.791 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 5.7 m-85 -149.92 117.13 6.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.173 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.8 t -84.28 134.18 34.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.836 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.8 t -95.65 21.18 8.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.062 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.8 26.91 18.77 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.74 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -104.63 -34.28 8.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 110.941 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.1 p -164.44 169.88 16.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.13 -30.11 64.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -65.22 111.6 3.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 74.6 m -67.23 153.52 94.53 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.41 177.39 6.09 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.542 2.161 . . . . 0.0 112.245 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.35 35.93 3.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -147.76 149.67 34.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.2 -27.01 28.39 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.593 2.195 . . . . 0.0 112.335 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.482 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.794 0.331 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.2 tpt -174.05 84.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.12 143.1 56.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 38.0 m -155.16 139.3 16.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -107.53 163.44 13.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.42 132.17 39.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.02 -171.75 42.49 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.55 -27.76 12.64 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.599 2.199 . . . . 0.0 112.362 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.8 t -81.19 -29.58 34.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.3 p -115.13 122.98 47.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -77.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -134.61 6.78 3.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.554 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.3 t -178.08 -52.67 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.817 0.342 . . . . 0.0 111.026 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -84.95 140.72 30.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.02 162.21 16.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -69.68 149.45 96.81 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.38 148.47 33.28 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.634 2.223 . . . . 0.0 112.336 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.91 118.48 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.76 16.26 17.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.601 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.7 m -113.49 112.24 23.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.863 0.363 . . . . 0.0 110.803 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.417 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 1.5 t -55.35 153.77 6.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.144 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.3 p -128.25 -44.05 1.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -97.1 161.99 13.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.813 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -178.19 133.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 t -133.77 58.06 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.144 0.497 . . . . 0.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m 54.69 23.06 4.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.787 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -176.85 -49.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.924 0.392 . . . . 0.0 111.448 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 t -88.73 175.71 7.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.04 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.52 144.43 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.816 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -115.16 114.93 25.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.417 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 3.8 m-85 -80.88 125.57 30.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.997 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 57.4 m -75.06 137.26 41.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 t -92.32 13.86 18.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.51 27.72 26.91 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.639 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.0 ttp85 -110.79 -34.49 6.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.77 0.319 . . . . 0.0 110.983 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 m -154.27 172.51 17.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.999 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.6 t -73.97 -28.33 61.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -57.04 149.93 18.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 94.8 m -113.74 88.71 14.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -51.42 177.67 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.557 2.171 . . . . 0.0 112.349 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.5 p -95.25 44.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -106.16 86.04 1.88 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -26.97 27.19 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.581 2.187 . . . . 0.0 112.288 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.497 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.87 0.366 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.2 mtp 60.5 31.71 20.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -137.28 -178.19 5.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.4 m -71.09 -33.7 70.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.58 97.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.48 120.95 26.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.72 -175.31 41.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.531 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.09 -28.1 24.09 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.564 2.176 . . . . 0.0 112.295 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 54.3 m -74.71 -31.99 62.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.8 m -100.12 127.33 46.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -72.96 -74.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -107.97 -28.41 9.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -169.14 -42.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.31 130.87 35.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.05 165.53 15.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -81.08 159.46 68.13 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.8 145.13 94.69 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.588 2.192 . . . . 0.0 112.326 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.7 113.83 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.87 25.51 4.49 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.526 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.6 m -124.58 147.39 48.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.408 HG21 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -65.06 167.81 7.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.3 p -154.89 -44.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.025 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.441 ' CE3' ' CG2' ' A' ' 25' ' ' THR . 1.3 t90 -83.34 -69.23 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.936 0.398 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.9 tttt 55.4 85.96 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.064 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.441 ' CG2' ' CE3' ' A' ' 23' ' ' TRP . 8.0 t -143.46 121.31 11.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.39 31.51 20.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 t 70.56 31.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.4 t -144.84 94.5 2.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 p -96.96 174.48 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.423 ' CD2' ' CE3' ' A' ' 23' ' ' TRP . 14.1 m170 -106.89 -26.39 11.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.408 ' CE2' HG21 ' A' ' 21' ' ' THR . 26.7 m-85 62.67 145.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.52 153.27 21.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.9 p -110.26 20.86 17.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.17 25.73 18.9 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.746 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -112.05 -33.79 6.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.0 t -147.0 173.41 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 t -96.04 10.81 36.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.213 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -115.55 107.1 14.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.812 0.339 . . . . 0.0 110.843 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.9 m -57.99 109.33 1.72 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.18 172.96 11.15 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.397 2.065 . . . . 0.0 112.326 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.7 t -85.38 57.31 4.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -141.15 87.3 10.8 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.9 -174.72 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.577 2.185 . . . . 0.0 112.311 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.521 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.853 0.358 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.3 ptm -137.73 80.5 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 5' ' ' THR . 8.8 m-20 -144.77 164.32 31.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 38.2 m 66.15 -66.87 0.16 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.25 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 3' ' ' ASP . 98.0 m 63.33 144.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.676 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 p -105.2 157.58 17.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.06 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.44 160.7 10.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.388 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -51.36 -24.76 16.69 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.574 2.183 . . . . 0.0 112.478 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 t -80.46 -34.51 35.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.4 m -107.62 125.56 51.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.001 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -74.62 -71.49 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.806 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -112.8 -26.14 8.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.2 t -174.01 -40.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -58.36 172.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -128.16 126.88 41.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -57.98 162.45 5.43 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.965 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.52 146.18 73.19 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.568 2.179 . . . . 0.0 112.368 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.95 160.57 5.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.068 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.35 24.44 59.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.554 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.8 m -119.84 131.3 55.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.358 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.7 t -58.48 149.17 25.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.5 p -123.81 -41.46 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -77.71 -66.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.0 tttt 60.96 79.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.46 172.28 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.4 m -91.57 59.68 3.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.44 -38.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.69 122.87 1.02 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.6 p -97.21 157.94 15.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -125.09 120.22 30.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.763 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -83.47 120.05 25.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.9 t -76.6 138.25 40.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.5 p -93.53 15.89 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.201 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.44 26.19 9.58 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.771 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.9 -36.07 8.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.988 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.2 t -159.02 165.92 32.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.0 m -71.92 -29.04 63.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -69.9 89.3 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 97.9 m -59.1 149.1 68.75 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.11 178.25 4.35 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.533 2.155 . . . . 0.0 112.241 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 m -101.05 -31.29 11.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 32.7 p90 -82.84 148.69 58.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.7 176.35 7.61 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.562 2.174 . . . . 0.0 112.286 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.523 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.874 0.369 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -175.88 -46.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -151.5 35.27 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -146.44 116.99 7.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 p -72.95 116.68 13.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.6 p -109.3 172.03 7.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.45 171.99 14.75 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.68 -27.85 35.18 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.558 2.172 . . . . 0.0 112.305 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.93 35.84 2.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.1 m -155.25 125.29 6.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -59.26 -31.58 69.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.969 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 165.75 -29.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.276 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 91.7 m -134.48 -45.89 0.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -86.28 169.87 12.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -128.75 144.98 51.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -59.67 153.85 49.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.72 147.74 86.13 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.579 2.186 . . . . 0.0 112.37 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.39 114.8 2.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.115 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.43 15.63 7.51 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.68 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.1 m -100.01 161.99 13.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 0.0 110.828 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.32 118.45 36.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.2 p -102.29 -43.28 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -114.83 151.57 33.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -179.22 109.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 m -155.69 60.96 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.984 0.421 . . . . 0.0 111.009 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.9 m 45.95 30.0 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.47 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.7 m -117.61 -40.4 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.182 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.89 -37.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t 65.02 96.51 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -78.99 175.78 10.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -135.12 172.73 12.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.43 131.46 42.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.4 18.39 12.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.92 26.51 8.54 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.758 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -119.45 -40.44 2.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 111.071 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -148.83 168.68 22.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.01 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.9 m -74.96 -28.92 60.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -63.8 143.27 57.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.8 m -95.05 148.27 34.4 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.73 151.18 63.37 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.586 2.191 . . . . 0.0 112.295 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -63.27 -31.68 72.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -105.84 156.07 37.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.86 -27.09 26.41 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.561 2.174 . . . . 0.0 112.306 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.378 -1.235 . . . . 0.0 112.47 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.864 0.364 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 30.6 mtm -152.65 165.05 36.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.51 34.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.0 m -107.43 119.67 40.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.19 150.31 21.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.6 p -103.64 152.0 22.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.66 166.33 13.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.542 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.53 -21.57 31.33 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.66 2.24 . . . . 0.0 112.56 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.6 36.0 1.43 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.12 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 p -178.3 122.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.837 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -59.51 -80.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -136.52 7.7 3.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.582 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -178.47 -47.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -73.35 157.09 37.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.63 136.25 54.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -56.94 148.97 46.84 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.28 144.3 39.8 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.588 2.192 . . . . 0.0 112.337 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.39 107.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.34 28.03 3.43 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.7 m -109.9 150.74 27.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.41 HG21 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -80.79 137.33 36.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.9 p -127.35 -45.25 1.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -94.64 147.76 22.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -169.08 92.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.0 t -96.43 74.12 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 78.06 -56.56 0.49 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.059 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 p -133.05 -44.77 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.173 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.74 115.53 9.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.3 p -128.69 143.72 51.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -108.16 -179.4 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.41 ' CZ ' HG21 ' A' ' 21' ' ' THR . 20.0 m-85 -139.96 171.64 13.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.7 m -117.03 152.54 34.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.1 t -111.82 20.72 16.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.97 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.19 32.6 29.05 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.645 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -113.23 -35.3 5.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.758 0.313 . . . . 0.0 111.061 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.4 t -152.8 172.51 16.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.046 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.7 m -72.26 -29.69 64.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -58.49 158.67 7.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.0 m -114.51 87.3 13.84 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.13 172.56 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.551 2.167 . . . . 0.0 112.271 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.7 m -97.75 40.1 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -106.79 81.79 0.95 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.89 -167.99 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.59 2.193 . . . . 0.0 112.287 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.506 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.848 0.356 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 25.0 mtt -134.88 177.2 7.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.32 -78.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.4 m 60.73 156.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.1 m -147.23 151.27 36.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.2 p -104.83 156.54 17.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.41 167.25 12.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.551 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.68 -25.06 48.88 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.641 2.227 . . . . 0.0 112.492 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.0 t -95.21 41.81 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.1 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.2 p 178.37 139.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 ttt85 -74.93 -79.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -134.66 7.11 3.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.499 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -179.78 -42.21 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.867 0.365 . . . . 0.0 110.773 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -90.51 138.22 31.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.8 152.19 19.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -58.81 151.94 51.07 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -55.52 149.65 46.84 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.63 2.22 . . . . 0.0 112.381 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.28 119.14 5.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.066 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.16 22.5 12.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.6 m -110.68 127.71 55.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.92 0.39 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -58.28 165.19 2.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.972 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 p -156.95 30.27 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.419 ' CE2' HG22 ' A' ' 25' ' ' THR . 2.0 t90 -144.28 -67.48 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? 56.77 76.24 0.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.041 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.419 HG22 ' CE2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -94.31 71.04 3.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 78.04 -56.53 0.49 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.033 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 p -133.7 -44.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.196 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.39 175.77 8.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.98 158.31 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.402 ' CD2' ' CE3' ' A' ' 23' ' ' TRP . 13.6 m170 -107.99 105.1 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -70.79 115.87 10.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.0 t -68.09 157.25 35.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.6 p -104.24 17.81 23.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.29 27.38 16.07 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.74 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -113.16 -68.83 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.984 0.421 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.57 164.02 13.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.6 m -71.6 -29.08 64.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -67.84 120.41 14.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 81.4 m -71.89 147.37 91.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.96 131.75 18.73 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.542 2.161 . . . . 0.0 112.338 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.6 t -60.17 -31.5 70.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 32.7 p90 -93.83 151.35 39.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.87 130.26 18.9 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.615 2.21 . . . . 0.0 112.324 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.508 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.764 0.316 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -160.47 31.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.83 168.72 9.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.2 m -106.25 -30.63 9.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 t 43.1 73.58 0.14 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.51 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.8 m -64.55 131.93 48.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.11 179.34 44.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.526 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.26 -39.44 72.11 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.595 2.197 . . . . 0.0 112.286 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.53 40.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.47 131.11 25.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.81 56.45 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.806 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 74.58 3.87 4.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.555 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 170.9 -51.61 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.82 0.343 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -77.56 157.68 30.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.88 138.73 34.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.963 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -61.33 159.73 28.73 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.878 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.73 144.52 84.14 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.558 2.172 . . . . 0.0 112.257 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 161.91 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.144 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.35 24.09 58.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.563 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.7 m -116.58 139.08 50.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.325 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.98 145.27 40.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.5 p -120.04 -41.06 2.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -80.02 -67.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 tttt 58.64 86.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 m -125.19 172.17 9.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.75 52.93 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.46 -38.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.187 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.5 m -167.2 134.2 2.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.4 p -130.02 161.25 31.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -124.76 159.53 30.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -120.49 161.53 21.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.49 157.04 17.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.7 p -107.93 15.22 24.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.208 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.36 48.16 54.83 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.706 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.9 ttm-85 -157.23 -45.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.387 . . . . 0.0 111.02 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.07 172.41 6.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.7 m -120.47 28.27 8.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -126.93 110.91 13.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.4 m -57.58 109.7 1.96 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -51.65 177.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.477 2.118 . . . . 0.0 112.288 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -99.62 32.33 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -161.34 148.86 12.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.56 -178.56 2.71 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.529 2.152 . . . . 0.0 112.327 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.488 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.818 0.342 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.37 34.17 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -105.92 100.35 9.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.8 m -80.06 111.76 16.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 t -91.95 137.76 32.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.86 157.17 16.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.91 -176.07 32.74 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.522 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.56 -26.07 20.29 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.594 2.196 . . . . 0.0 112.435 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.22 40.98 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.011 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 p -177.22 132.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -67.61 -80.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -136.85 7.87 2.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.601 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -175.84 -46.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.784 0.326 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -86.16 160.84 19.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.54 150.78 37.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -58.43 158.4 14.94 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.94 143.41 40.03 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.564 2.176 . . . . 0.0 112.362 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.23 116.58 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.84 27.72 7.76 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.53 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.1 m -109.84 165.05 12.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.44 ' CG2' ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -85.24 150.98 24.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.8 p -143.87 -46.94 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.441 ' CH2' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -75.84 162.63 27.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.85 97.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.441 ' CG2' ' CH2' ' A' ' 23' ' ' TRP . 4.1 t -161.19 138.33 8.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 59.98 30.08 19.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.3 t 70.22 30.61 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.955 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -138.03 145.41 41.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.8 m -142.82 172.67 12.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -128.33 173.93 9.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.44 ' CE1' ' CG2' ' A' ' 21' ' ' THR . 5.3 m-85 -125.75 142.61 51.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 55.8 m -92.09 166.2 12.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.2 t -119.64 26.1 9.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.973 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.93 32.44 59.34 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.613 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -112.21 -68.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.983 0.421 . . . . 0.0 110.963 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 m -131.54 172.7 11.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 67.7 m -71.98 -31.1 65.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.52 97.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.3 m -58.47 109.98 2.25 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.37 177.36 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.444 2.096 . . . . 0.0 112.309 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -99.09 36.05 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -115.49 82.78 10.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.17 95.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.595 2.197 . . . . 0.0 112.316 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.418 ' HA3' ' CG ' ' A' ' 31' ' ' TYR . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.352 -1.249 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.838 0.351 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.5 ttm -176.07 -40.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -90.45 160.73 15.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -93.26 138.16 31.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.25 112.11 23.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 t -143.0 157.26 44.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.82 -155.04 25.67 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.84 -26.72 26.93 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.599 2.199 . . . . 0.0 112.373 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 t -117.45 29.71 7.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.994 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.5 m -153.21 157.11 39.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.5 ttm-85 -126.89 101.78 6.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.789 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 65.68 -76.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.1 m -146.91 31.19 0.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -140.8 113.76 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 pp -79.05 152.03 31.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -66.42 162.86 45.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -65.12 145.64 85.12 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.603 2.202 . . . . 0.0 112.367 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.42 113.67 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.055 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.2 22.98 5.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.568 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.4 m -96.97 164.37 12.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.415 HG21 ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -108.67 108.04 18.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.883 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.4 p -94.03 -36.34 12.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.407 ' CH2' HG23 ' A' ' 25' ' ' THR . 0.0 OUTLIER -116.13 122.68 45.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -143.99 31.99 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.407 HG23 ' CH2' ' A' ' 23' ' ' TRP . 7.4 t -65.15 170.14 4.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 m -68.27 -26.75 65.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.044 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -72.78 -33.83 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.113 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.09 -169.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.3 p -159.15 149.4 19.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -138.82 170.95 15.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.415 ' CZ ' HG21 ' A' ' 21' ' ' THR . 13.2 m-85 -131.74 172.1 12.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -114.96 151.39 34.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.8 p -104.93 20.86 18.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.0 35.23 58.89 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.684 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.4 mmp_? -156.0 36.92 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.756 0.313 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.4 p -175.95 166.37 3.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 93.8 m -118.85 27.42 8.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -147.66 132.34 17.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.9 m -65.07 148.23 97.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.17 177.47 5.83 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.572 2.181 . . . . 0.0 112.272 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.64 -31.44 12.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.414 ' O ' ' CD2' ' A' ' 42' ' ' TYR . 40.9 p90 -91.05 110.07 39.67 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.92 -170.81 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.492 2.128 . . . . 0.0 112.296 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.396 -1.225 . . . . 0.0 112.484 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.843 0.354 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.0 tpt 60.6 83.45 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -74.92 95.37 2.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 76.7 m -152.11 110.19 3.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.2 m -95.97 162.17 13.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.743 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.72 155.82 24.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.967 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.02 172.34 27.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.553 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -62.55 -30.0 78.97 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.638 2.225 . . . . 0.0 112.269 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.9 t -98.55 37.36 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.712 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.33 117.37 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.815 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -80.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -117.51 -19.48 9.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.396 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.2 t -169.59 -40.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.785 0.326 . . . . 0.0 111.023 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 pttt -78.12 139.37 39.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.53 148.21 24.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -57.38 161.83 5.16 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.986 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.04 145.33 33.92 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.595 2.197 . . . . 0.0 112.405 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.22 108.79 3.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.52 28.09 3.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.6 t -123.57 164.12 19.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.34 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.79 155.01 29.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.807 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.1 p -151.34 -46.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.42 ' CZ2' HG22 ' A' ' 25' ' ' THR . 17.5 t90 -82.08 -80.6 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.022 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt 60.76 116.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.074 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.42 HG22 ' CZ2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -113.23 56.84 0.68 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.213 0.53 . . . . 0.0 110.949 179.888 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m 55.29 21.77 4.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.693 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.7 p -179.48 -45.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.798 0.333 . . . . 0.0 111.495 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.0 t -121.21 127.84 51.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.7 p -125.66 148.5 48.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -105.56 109.24 21.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.775 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -58.17 147.02 31.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -83.1 142.04 31.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 t -90.22 5.29 47.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.259 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.72 27.53 28.05 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.697 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.4 ttt85 -114.49 -36.16 4.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.797 0.332 . . . . 0.0 111.04 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m -133.04 170.33 15.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.975 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.3 m -72.16 -29.0 63.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -89.14 159.09 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.9 m -90.77 148.82 39.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.63 177.44 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.568 2.179 . . . . 0.0 112.273 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.2 t -118.51 31.48 6.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -158.89 150.56 16.95 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.93 91.6 0.53 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.609 2.206 . . . . 0.0 112.337 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.377 -1.235 . . . . 0.0 112.51 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.825 0.345 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 9.6 ttt -161.24 123.76 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -135.28 173.7 11.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.4 m -67.32 108.82 2.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.89 155.29 16.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.721 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.23 168.29 9.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.948 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.27 178.0 15.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.396 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -78.47 53.94 4.79 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.681 2.254 . . . . 0.0 112.548 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER 177.93 37.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.836 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 m -163.85 96.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.017 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -64.53 82.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.491 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 77.13 -59.9 0.47 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.1 t -140.16 -41.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.207 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -69.54 127.02 31.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.981 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.0 150.35 22.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -61.77 154.08 68.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -62.55 146.34 95.43 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.593 2.195 . . . . 0.0 112.303 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.89 111.5 1.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.07 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.32 23.61 4.76 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.61 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.5 m -99.86 164.81 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 110.818 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.449 ' CG2' ' CZ ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -110.9 122.36 47.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.834 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.3 p -111.57 -44.88 3.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -92.67 156.63 16.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -176.69 79.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.9 p -90.7 71.82 6.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 77.95 -56.52 0.49 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.065 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 p -128.72 -43.77 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.152 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 t -73.89 108.6 6.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.1 p -133.25 88.22 2.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.418 ' CD2' ' HG3' ' A' ' 43' ' ' PRO . 15.5 m170 -60.47 178.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.449 ' CZ ' ' CG2' ' A' ' 21' ' ' THR . 22.1 m-85 -138.31 161.81 35.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 67.3 m -99.25 134.89 41.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.7 p -97.08 23.47 7.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.085 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.88 26.93 35.21 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.647 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -104.9 -34.06 8.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 110.938 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -155.22 161.07 41.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.8 m -71.83 -27.01 62.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -78.81 117.62 20.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.9 m -59.67 149.39 71.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.05 177.45 5.77 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.59 2.193 . . . . 0.0 112.316 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -130.22 31.67 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.402 ' O ' ' CD2' ' A' ' 42' ' ' TYR . 15.6 p90 -149.13 87.6 5.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HG3' ' CD2' ' A' ' 30' ' ' HIS . 54.2 Cg_exo -52.06 98.11 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.596 2.198 . . . . 0.0 112.317 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.509 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.4 ttp -107.08 92.83 4.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -138.6 150.04 45.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.3 m -103.9 -179.82 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.2 p -70.8 99.26 1.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.93 109.48 21.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.36 -173.02 44.18 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.54 -25.54 10.94 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.657 2.238 . . . . 0.0 112.569 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.03 42.05 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.095 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.8 p -176.78 127.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.038 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.46 -164.39 1.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.765 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.81 95.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.197 0.522 . . . . 0.0 111.088 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.7 m 56.91 59.86 3.29 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.032 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -176.79 142.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 pp -105.16 165.44 11.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -83.43 154.15 65.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.74 146.84 79.98 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.606 2.204 . . . . 0.0 112.371 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.19 115.92 3.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.011 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.42 19.01 6.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.653 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.5 m -100.65 166.11 11.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.34 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.82 119.01 38.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.781 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.1 p -96.45 -40.57 9.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.008 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.49 48.22 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.034 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -68.46 71.81 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 m -100.61 171.07 7.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 m -78.04 -5.45 51.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.414 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -101.39 -36.36 4.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.837 0.351 . . . . 0.0 111.181 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.69 -175.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.9 p -154.3 155.91 36.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -109.86 -32.06 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 60.37 167.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.847 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -127.3 140.84 51.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.9 t -106.27 23.31 14.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 57.65 26.69 57.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.584 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 -100.5 -33.04 10.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -172.2 170.27 5.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.3 t -71.86 -29.42 64.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -72.7 107.28 5.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -68.57 146.08 97.49 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.62 165.72 31.92 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.508 2.139 . . . . 0.0 112.307 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -107.64 66.66 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -160.85 87.3 1.74 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.0 155.58 64.8 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.536 2.157 . . . . 0.0 112.303 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.463 -179.993 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.893 0.377 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.8 tpp -106.27 -40.02 5.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.59 158.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.4 m -88.52 -33.6 17.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.25 158.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 p -129.8 141.97 50.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.8 -170.87 37.61 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.529 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.57 -41.47 3.23 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.879 2.386 . . . . 0.0 112.359 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.7 t -65.15 -24.69 67.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.367 -179.676 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.0 p -120.48 119.48 33.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.97 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -57.35 -76.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -132.91 6.28 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.48 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 177.45 -53.13 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.97 148.08 27.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 pp -107.03 151.6 25.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -59.85 159.44 19.61 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.98 148.02 90.58 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.07 111.23 1.24 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.94 23.42 4.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.604 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -110.11 154.65 22.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.803 0.335 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.449 ' CG2' ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -92.32 118.17 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.7 p -94.53 -40.55 9.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -103.38 125.28 49.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.08 35.19 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.2 172.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 t -91.55 50.61 1.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.9 m -158.89 -44.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -164.89 131.43 2.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.7 p -108.69 152.16 25.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -130.54 172.63 11.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.449 ' CZ ' ' CG2' ' A' ' 21' ' ' THR . 53.5 m-85 -132.81 159.74 38.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.02 145.21 29.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.806 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -105.71 23.53 13.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.078 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.69 25.9 23.18 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.738 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 -100.15 -33.63 10.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.4 t -167.76 172.38 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.2 t -72.07 -30.98 65.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -67.08 109.64 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 97.7 m -67.04 149.22 98.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.58 176.61 7.16 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.574 2.182 . . . . 0.0 112.309 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 m -116.76 31.62 6.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -114.38 87.52 13.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.76 90.59 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.517 2.144 . . . . 0.0 112.325 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.466 -1.185 . . . . 0.0 112.474 -179.976 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.808 0.337 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.2 ptp -133.58 91.15 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 60.37 83.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.1 m -60.64 111.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.81 172.29 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.6 96.02 5.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.15 162.49 28.61 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.84 60.7 3.68 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.593 2.195 . . . . 0.0 112.39 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 179.45 39.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.806 179.879 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.2 m -149.99 161.56 42.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -95.94 43.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.814 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 72.95 6.17 5.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.547 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -178.95 -39.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.862 0.363 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -84.92 170.08 13.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.31 125.68 54.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -60.17 159.5 21.47 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -64.25 144.62 86.92 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.581 2.187 . . . . 0.0 112.295 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.76 162.69 3.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.087 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.84 24.03 57.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.607 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.3 m -112.34 114.56 27.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.843 0.354 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -59.76 168.34 1.77 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 p -140.37 -46.92 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -87.52 150.68 23.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -179.02 86.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.401 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 9.4 t -130.32 61.9 1.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.998 0.428 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.5 p 49.73 34.86 7.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.32 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.401 ' CG2' ' CG2' ' A' ' 25' ' ' THR . 5.7 m -140.38 -48.68 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.244 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.23 -173.28 0.18 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.59 149.13 35.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -109.97 107.89 17.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -72.08 111.42 7.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 83.7 m -70.38 141.79 52.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.756 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 t -94.69 17.56 13.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.234 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.71 26.34 10.52 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.739 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -104.41 -33.71 8.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.994 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.8 p -153.75 172.5 17.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 75.3 m -72.14 -30.8 65.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -59.64 142.93 51.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.1 m -102.86 92.41 3.54 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.54 165.23 28.01 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.496 2.13 . . . . 0.0 112.285 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.5 m -85.15 57.23 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -117.24 71.25 6.14 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.05 178.84 4.34 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.592 2.194 . . . . 0.0 112.311 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.414 -1.215 . . . . 0.0 112.487 179.941 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.825 0.345 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -105.56 36.02 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 60.77 157.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.8 m -108.04 114.78 28.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 p -75.57 115.07 14.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.3 p -104.98 133.09 50.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.67 -163.98 36.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.51 -30.64 6.27 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.595 2.196 . . . . 0.0 112.581 -179.855 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.3 t -97.65 26.19 5.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.196 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.6 m -146.06 142.72 28.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.926 179.835 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.99 54.25 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.848 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 73.04 5.62 5.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.604 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.8 t -177.97 -58.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.798 0.333 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -82.84 135.27 35.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 pp -94.6 149.64 21.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.34 157.1 83.36 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.62 145.8 91.9 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.56 2.174 . . . . 0.0 112.351 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.34 121.74 12.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.9 23.71 9.08 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.598 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.4 m -126.65 148.62 49.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.415 HG21 ' CE2' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -59.57 163.54 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.8 p -154.68 -46.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -102.89 79.7 1.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -82.96 119.57 24.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -124.74 172.4 9.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 p -92.86 48.73 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.45 -38.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -161.61 128.57 3.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.5 p -118.1 142.11 47.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -100.35 176.98 5.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.415 ' CE2' HG21 ' A' ' 21' ' ' THR . 11.3 m-85 -125.8 172.4 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.03 145.12 40.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.6 t -105.84 20.37 19.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.46 24.62 24.39 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.796 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.5 mtt-85 -110.93 -33.8 6.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.29 171.03 21.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.835 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.9 -29.64 64.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.81 148.24 30.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.6 m -112.92 90.13 14.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -51.05 177.63 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.561 2.174 . . . . 0.0 112.353 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 p -97.05 39.68 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -106.84 79.14 0.63 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.8 -177.25 1.8 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.575 2.184 . . . . 0.0 112.302 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.367 -1.24 . . . . 0.0 112.454 179.988 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.846 0.355 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.5 tpt 60.47 79.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -98.36 132.12 44.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.9 m -97.44 -37.16 10.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.0 m 63.44 133.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.76 154.65 20.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.41 168.07 17.3 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.53 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -55.61 -23.15 38.77 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.655 2.237 . . . . 0.0 112.47 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.8 t -97.48 30.6 2.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.048 -179.782 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.8 p -179.26 126.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.825 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 mtm180 -80.98 -76.27 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -112.76 -21.01 11.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.265 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -178.21 -36.95 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.815 0.341 . . . . 0.0 111.075 -179.857 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -78.54 97.94 5.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.962 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 pp -71.86 147.83 46.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -56.25 147.22 48.17 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.016 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.32 145.64 44.11 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.584 2.189 . . . . 0.0 112.311 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.32 103.26 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.012 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.94 30.5 2.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 m -120.49 152.48 37.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.421 HG21 ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -63.67 166.51 6.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.7 p -157.49 -45.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.447 ' CZ2' ' CG2' ' A' ' 25' ' ' THR . 7.0 t90 -111.51 146.88 36.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.59 105.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.447 ' CG2' ' CZ2' ' A' ' 23' ' ' TRP . 75.0 p -102.68 74.03 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 78.07 -56.46 0.49 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 p -133.12 -44.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.204 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 m -71.36 116.07 11.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 t -133.63 144.24 49.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.415 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 58.5 m170 -111.48 176.17 5.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.421 ' CZ ' HG21 ' A' ' 21' ' ' THR . 14.6 m-85 -130.09 156.26 44.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.3 t -100.25 142.95 31.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.806 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -103.36 21.32 16.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.157 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.36 26.62 14.58 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.724 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.2 mtt85 -98.06 -33.4 11.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 110.958 -179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -165.95 173.13 10.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.6 m -71.37 -30.46 66.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -74.76 94.2 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.61 154.36 56.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -69.03 143.67 55.21 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.541 2.16 . . . . 0.0 112.287 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.415 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 56.0 p -98.3 35.6 1.75 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -146.05 158.54 48.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.18 128.08 25.98 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.545 2.163 . . . . 0.0 112.351 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.513 -179.996 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.828 0.347 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.5 tpt -152.17 -46.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.24 89.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.8 m 60.97 112.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.88 163.74 13.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.97 123.22 44.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.8 166.21 35.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.549 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.94 -23.54 21.61 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.578 2.186 . . . . 0.0 112.423 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.2 t -97.21 29.53 3.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.023 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.4 m -161.51 121.02 2.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.829 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -69.45 -80.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -127.9 -3.04 5.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.628 -179.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 178.61 -38.34 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -75.08 168.34 20.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.951 -179.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 tt -120.21 138.63 53.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 mmtt -58.89 149.15 66.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -52.99 143.58 49.13 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.565 2.176 . . . . 0.0 112.342 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.14 105.82 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.069 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.31 29.02 2.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.567 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.9 m -116.62 152.4 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.329 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.418 HG21 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -76.26 129.7 37.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -119.7 -40.93 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -100.83 165.62 11.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.47 93.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 m -104.22 63.98 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t 77.83 -56.55 0.5 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.086 -179.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 p -123.48 -41.36 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.162 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 t -76.1 108.74 9.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.37 79.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -61.23 152.26 29.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.418 ' CZ ' HG21 ' A' ' 21' ' ' THR . 30.6 m-85 -111.28 171.08 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.21 143.62 36.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.3 t -105.81 22.97 14.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.041 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.4 30.15 40.27 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.643 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -102.56 -35.4 8.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.341 . . . . 0.0 110.967 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 m -166.3 172.31 11.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.6 m -72.13 -31.09 65.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -69.87 113.63 7.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.2 m -60.53 149.23 78.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.09 177.46 5.78 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.583 2.189 . . . . 0.0 112.3 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.9 p -126.63 32.25 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -158.62 87.22 2.31 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.16 126.7 21.1 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.501 2.134 . . . . 0.0 112.352 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.358 -1.246 . . . . 0.0 112.449 -179.936 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.832 0.349 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.0 mtt 60.4 -174.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -130.8 118.92 21.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 67.7 m -78.86 127.76 32.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.2 p -101.67 118.41 36.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -90.61 156.82 17.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.41 162.46 10.91 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.26 -28.07 41.01 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.625 2.216 . . . . 0.0 112.246 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 t -101.97 34.3 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 m -150.71 146.49 26.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -93.0 49.06 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.818 179.849 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.46 5.47 4.98 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.532 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.1 t -177.14 -52.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.803 0.335 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -74.27 156.93 36.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -117.21 136.25 53.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -64.87 154.2 86.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.64 144.25 71.48 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.569 2.179 . . . . 0.0 112.332 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.7 119.9 10.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.33 22.98 7.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.538 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.0 m -125.11 129.72 50.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.795 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.422 HG21 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -59.91 156.5 14.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.4 p -131.44 -44.3 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -70.64 -74.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.016 -179.82 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 tttt 45.13 92.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.339 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.6 p -127.75 56.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.14 0.495 . . . . 0.0 111.088 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.2 p 44.89 27.22 0.25 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.925 179.541 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 50.0 t -156.82 -67.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.989 0.423 . . . . 0.0 110.941 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -126.58 147.66 49.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.29 145.18 36.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.436 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 9.9 m170 -95.74 -169.44 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.801 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.422 ' CE2' HG21 ' A' ' 21' ' ' THR . 30.9 m-85 -145.03 132.49 20.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.77 133.57 33.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.819 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.8 p -94.92 18.91 11.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.48 26.72 10.41 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.751 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -115.18 -37.51 4.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.824 0.345 . . . . 0.0 111.012 -179.885 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.1 p -150.11 162.96 39.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.967 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.2 m -72.1 -28.13 63.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.949 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -61.4 126.11 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 86.4 m -86.99 148.48 45.46 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.81 142.39 43.2 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.614 2.209 . . . . 0.0 112.299 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.4 p -98.3 35.91 1.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.428 ' N ' ' CD2' ' A' ' 42' ' ' TYR . 2.4 p90 -156.25 84.9 3.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.98 160.12 50.8 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.596 2.197 . . . . 0.0 112.283 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.43 -1.205 . . . . 0.0 112.503 179.93 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.784 0.326 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.9 mtt 61.07 155.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 t70 60.46 77.64 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.6 m -111.39 -33.92 6.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.75 78.71 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.4 p -75.4 107.24 7.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.44 -164.98 11.76 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.63 -26.87 15.91 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.555 2.17 . . . . 0.0 112.473 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.1 29.49 3.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.075 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.2 m -145.17 115.14 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -59.31 -21.64 60.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.204 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 174.88 -29.05 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.326 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.0 t -162.55 -44.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -73.68 119.21 17.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.3 143.46 53.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -64.07 149.14 94.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.6 145.43 59.01 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.607 2.205 . . . . 0.0 112.277 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.78 107.41 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.025 179.86 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.68 26.36 3.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.2 m -104.16 163.32 12.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.312 . . . . 0.0 110.762 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.421 HG21 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -95.81 120.22 35.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.895 -179.85 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.1 p -106.08 -37.12 6.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.782 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.416 ' CZ3' HG23 ' A' ' 25' ' ' THR . 0.0 OUTLIER -114.39 134.7 54.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -149.18 60.07 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.416 HG23 ' CZ3' ' A' ' 23' ' ' TRP . 2.9 t -69.49 70.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 t 79.04 -56.37 0.44 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.107 -179.876 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.6 p -138.62 -41.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.405 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.33 150.76 34.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.976 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.2 t -156.9 150.06 24.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -109.75 -30.87 7.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.042 -179.89 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.421 ' CE1' HG21 ' A' ' 21' ' ' THR . 40.6 m-85 60.79 172.37 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.817 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.6 m -129.87 142.78 50.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.3 t -108.6 26.65 10.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.08 32.12 59.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.613 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -107.18 -33.13 7.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.958 -179.937 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.88 173.12 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.57 -30.57 66.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -69.47 109.76 4.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.2 m -69.36 142.97 92.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.72 142.87 72.28 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.506 2.137 . . . . 0.0 112.279 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -68.09 -33.03 73.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -59.33 109.72 2.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.13 100.73 0.76 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.407 2.071 . . . . 0.0 112.266 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.084 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.462 179.949 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.826 0.346 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 27.1 mtt -77.08 159.96 29.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.99 85.53 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.8 m -73.75 112.76 10.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.1 172.89 7.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.33 132.75 51.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.06 157.1 12.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.537 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.29 -27.84 32.21 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.586 2.191 . . . . 0.0 112.397 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.5 m -92.44 48.37 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.962 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -161.98 129.05 3.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.05 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -85.93 56.98 4.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.741 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.53 6.84 5.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.488 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -179.71 -68.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.797 0.332 . . . . 0.0 111.057 179.945 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -76.96 138.73 39.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.007 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.41 152.97 27.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -69.77 157.44 89.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.69 144.75 52.15 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.617 2.212 . . . . 0.0 112.315 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.7 107.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.046 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.29 27.31 3.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -111.44 142.76 43.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.42 HG22 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -77.68 143.93 37.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.7 p -123.44 -42.7 2.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.402 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.4 OUTLIER -95.7 -69.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.951 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.2 tttp 61.01 34.87 19.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.402 ' OG1' ' CD1' ' A' ' 23' ' ' TRP . 9.3 m -80.56 154.27 27.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -59.8 -31.42 69.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -76.72 -31.16 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 m -173.56 132.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.4 p -107.34 93.5 4.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.415 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 19.0 m170 -79.33 157.32 27.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.42 ' CZ ' HG22 ' A' ' 21' ' ' THR . 11.2 m-85 -127.53 172.41 10.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.1 m -108.73 126.3 52.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.786 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.7 p -96.09 22.26 7.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.133 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.23 25.94 19.9 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.696 179.862 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.51 -33.53 6.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.865 0.364 . . . . 0.0 110.949 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 m -155.59 164.43 38.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.8 m -72.3 -27.13 62.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -63.15 159.41 17.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 80.9 m -111.98 92.32 17.77 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -50.04 145.46 19.44 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.62 2.213 . . . . 0.0 112.384 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.415 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 26.0 p -59.68 -27.91 66.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 13.4 p90 -102.29 93.19 3.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.76 90.5 0.35 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.462 2.108 . . . . 0.0 112.273 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.519 179.972 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.812 0.339 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.2 ptp -72.74 166.04 23.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.04 37.76 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.8 m -108.29 -36.03 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.9 m 61.22 115.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.6 160.39 15.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.36 177.91 28.21 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.19 -25.18 37.31 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.542 2.161 . . . . 0.0 112.35 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.0 t -98.58 31.72 2.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -160.63 108.15 1.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -80.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 -179.912 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.51 -19.94 7.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.503 -179.839 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.5 t -167.11 -42.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 111.085 -179.815 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -76.94 152.98 35.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.37 145.02 30.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -59.62 164.01 6.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.02 146.03 81.17 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.589 2.193 . . . . 0.0 112.351 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.52 152.53 17.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 64.82 26.71 71.34 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.2 m -123.39 157.4 33.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 110.802 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.64 143.74 44.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.7 p -119.71 -40.87 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 15.9 t90 -95.28 -71.06 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.026 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 tttm 58.31 101.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.6 t -134.12 64.11 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 78.05 -56.51 0.49 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.064 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.5 p -133.24 -44.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.192 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.19 77.74 3.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.3 p -103.81 114.6 28.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -85.28 132.73 34.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -92.32 152.38 19.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.21 149.6 28.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.3 t -109.24 23.19 14.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.09 32.24 49.71 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.71 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -114.96 -69.21 0.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.996 0.427 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.1 p -120.26 162.65 19.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.2 m -71.94 -28.4 63.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -82.0 99.44 9.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.8 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.9 m -58.75 148.86 66.42 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.18 177.64 6.33 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.568 2.178 . . . . 0.0 112.316 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 m -98.77 32.1 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -133.83 87.59 35.2 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.86 97.26 0.64 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.575 2.184 . . . . 0.0 112.305 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.412 -1.216 . . . . 0.0 112.52 -179.996 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.812 0.339 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 6.6 mtt -135.46 32.82 3.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -106.71 126.13 51.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.3 m -102.3 -34.01 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m 59.24 171.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.9 p -134.59 150.36 50.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.99 157.09 8.25 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.39 -28.17 34.26 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.601 2.201 . . . . 0.0 112.31 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.8 t -63.23 -46.09 88.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.4 p -102.42 149.45 24.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -74.31 -77.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -133.97 6.72 3.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.481 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 177.81 -38.21 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.874 0.369 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -93.89 140.94 29.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 pp -105.14 148.3 27.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -59.9 153.67 52.96 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.7 144.37 43.23 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.59 2.193 . . . . 0.0 112.297 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.48 106.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.05 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.93 27.92 3.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.5 m -121.14 162.05 20.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.97 145.25 34.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.8 p -119.26 -41.13 2.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.447 ' CD1' ' CG2' ' A' ' 25' ' ' THR . 4.6 t90 -93.71 -65.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 tttt 60.76 78.93 0.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.447 ' CG2' ' CD1' ' A' ' 23' ' ' TRP . 25.6 p -117.25 172.41 7.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.6 t -77.19 -30.65 54.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.02 -35.94 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -178.39 124.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.1 m -89.04 136.53 32.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -104.27 152.46 22.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -122.49 172.18 8.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.7 m -123.98 150.63 44.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.0 t -112.13 24.52 12.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.998 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.4 31.95 57.34 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.604 179.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -105.72 -66.57 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.978 0.418 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.3 t -128.53 171.35 12.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.4 m -75.08 -31.11 61.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -68.09 127.22 32.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.5 m -76.53 152.34 83.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.52 170.28 16.65 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.578 2.185 . . . . 0.0 112.342 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.8 m -108.92 -31.47 7.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 42.0 p90 -85.03 110.71 30.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.07 108.2 2.09 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.437 2.091 . . . . 0.0 112.295 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.449 -1.195 . . . . 0.0 112.524 -179.99 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.814 0.34 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.6 tpt -156.64 162.11 39.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 t70 60.49 39.11 18.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 81.1 m -135.64 122.6 21.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.6 p -58.92 116.35 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.51 126.81 52.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.28 -175.31 44.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.48 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.25 -27.61 34.59 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.587 2.192 . . . . 0.0 112.247 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 m -84.39 -27.43 27.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.027 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.3 m -102.66 166.15 10.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.001 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -179.74 130.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.683 179.957 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 64.4 14.35 8.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.282 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.6 t 76.05 67.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.793 -179.815 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.27 107.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.793 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.45 129.73 43.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.006 -179.917 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -60.5 147.41 83.04 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.08 145.14 65.91 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.575 2.183 . . . . 0.0 112.321 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.16 112.31 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 179.886 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.78 18.48 6.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.654 -179.922 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.4 m -110.42 131.86 54.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.776 0.322 . . . . 0.0 110.815 179.919 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.8 t -55.93 159.9 3.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 -179.894 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.7 p -149.56 30.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.444 ' CH2' ' CG2' ' A' ' 25' ' ' THR . 0.2 OUTLIER -176.52 172.3 2.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 -179.961 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.3 pttt -176.05 70.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.444 ' CG2' ' CH2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -69.54 70.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.926 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m 78.28 -56.39 0.48 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.075 -179.884 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.64 -44.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.229 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.09 150.0 35.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.962 -179.922 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.2 p -147.5 -179.58 6.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.965 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.403 ' CE1' ' O ' ' A' ' 40' ' ' PRO . 5.2 m-70 -131.63 133.94 45.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -91.27 122.6 34.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.009 -179.935 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -76.29 140.16 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 179.868 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.2 p -95.74 18.2 13.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.185 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.64 31.85 23.44 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.734 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -108.31 -67.26 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.985 0.422 . . . . 0.0 111.009 -179.946 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -125.07 170.83 10.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -32.19 66.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -68.89 111.44 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 91.2 m -62.93 155.37 72.39 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.403 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 45.5 Cg_endo -68.45 175.73 6.59 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.541 2.161 . . . . 0.0 112.244 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 m -109.68 35.07 3.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -147.03 147.78 30.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.66 106.24 1.93 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.537 2.158 . . . . 0.0 112.357 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.5 -179.98 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.81 0.338 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 12.6 ttm -133.5 -47.32 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.907 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -136.6 -47.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 59.7 m 62.76 -79.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.09 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.6 m 64.74 160.6 0.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.73 141.85 47.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.2 164.26 15.75 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.465 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.82 63.47 0.58 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.881 2.387 . . . . 0.0 112.351 -179.86 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.8 t -176.86 36.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.4 p -177.57 133.53 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.812 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -59.77 -77.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -134.49 6.22 3.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.498 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 175.11 -38.58 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.876 0.369 . . . . 0.0 110.743 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.88 135.76 40.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.978 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.87 134.28 36.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -59.89 157.32 30.65 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.89 143.4 72.01 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.572 2.181 . . . . 0.0 112.359 -179.937 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.54 103.6 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.006 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.31 32.05 1.43 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.0 m -107.72 141.86 38.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 110.72 179.88 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.0 132.26 45.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.002 -179.918 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 p -121.33 -42.63 2.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -97.14 129.3 44.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -135.77 43.61 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.15 172.71 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -84.98 57.31 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 p -171.44 -41.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.5 m -165.55 161.55 18.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.7 p -131.49 130.8 42.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.404 ' N ' ' CD2' ' A' ' 30' ' ' HIS . 11.9 m170 -96.91 -174.22 2.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -131.71 172.42 12.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.09 157.16 18.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.1 p -111.72 17.09 20.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.196 179.935 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.93 33.93 21.89 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.755 179.936 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -116.05 -37.82 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.086 -179.87 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.0 p -135.64 155.88 49.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.5 m -71.75 -25.6 62.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -77.14 141.04 40.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.97 -179.893 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.0 t -83.28 134.98 44.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.783 179.875 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.74 161.67 45.24 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.448 2.098 . . . . 0.0 112.364 -179.933 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.4 t -118.31 38.42 3.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -113.42 89.97 16.21 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -51.62 125.92 18.17 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.554 2.169 . . . . 0.0 112.357 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.479 -179.979 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.85 0.357 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.24 127.49 33.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.65 -42.44 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -165.14 -44.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.0 m 59.14 162.51 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -134.48 117.55 16.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.47 -169.62 27.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.9 -26.04 27.3 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.549 2.166 . . . . 0.0 112.328 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.91 39.42 1.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 72.2 m -153.3 136.04 15.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -69.72 -28.26 65.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.996 179.934 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 167.13 -28.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.336 -179.944 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -137.29 -46.4 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.941 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.31 173.87 8.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.433 ' CD1' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -120.22 154.8 34.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.918 179.901 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -58.49 153.79 37.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.969 -179.916 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.39 149.08 92.13 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.566 2.178 . . . . 0.0 112.34 179.941 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.74 109.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.218 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.5 22.35 5.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.671 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.0 m -99.07 164.0 12.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.79 0.329 . . . . 0.0 110.953 179.939 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.45 ' CG2' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -107.34 137.84 44.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.968 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.3 p -135.93 -46.18 0.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -85.54 165.1 17.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -176.7 78.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.73 63.73 7.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m 77.79 -56.32 0.5 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.27 -44.24 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.177 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -77.02 121.21 23.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.949 -179.856 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.5 t -134.34 101.33 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -69.73 173.1 6.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.45 ' CE2' ' CG2' ' A' ' 21' ' ' THR . 7.2 m-85 -132.08 172.28 12.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 98.6 m -111.51 161.33 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.1 t -118.71 25.81 9.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.014 179.919 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.16 32.74 57.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.621 179.923 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -108.23 -32.8 7.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -169.69 173.29 6.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.2 m -71.2 -30.64 66.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.826 179.916 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.48 100.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 95.2 m -59.16 109.61 2.03 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -68.91 177.33 5.09 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.436 2.091 . . . . 0.0 112.315 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.2 m -102.16 41.93 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -114.57 87.51 14.34 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.2 -176.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.548 2.166 . . . . 0.0 112.315 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.517 -179.973 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.799 0.333 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.6 mtt 60.56 -174.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -127.23 157.2 40.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.8 m -103.71 117.39 34.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.1 107.13 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.2 p -105.44 130.28 53.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.6 -160.18 25.25 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.83 -27.1 18.28 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.567 2.178 . . . . 0.0 112.425 -179.899 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 t -106.52 27.25 8.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.122 -179.938 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.7 m -143.21 128.01 18.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -60.48 -80.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -135.86 6.86 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.553 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.3 t -178.49 -44.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.82 0.343 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -92.76 165.93 12.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.891 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.59 166.7 10.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -70.15 153.44 95.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.34 147.11 37.94 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.607 2.205 . . . . 0.0 112.316 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.67 108.45 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.31 25.85 4.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.475 -179.911 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.4 m -121.67 133.03 54.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -59.04 172.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.955 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.9 p -145.7 -46.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.41 ' CE3' ' CG2' ' A' ' 25' ' ' THR . 0.7 OUTLIER -63.78 -69.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? 55.3 74.58 0.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.038 179.832 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.41 ' CG2' ' CE3' ' A' ' 23' ' ' TRP . 1.1 t -128.82 172.56 11.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.869 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 p -57.11 -21.35 31.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.429 -179.768 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.3 t -83.18 -53.55 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.921 0.391 . . . . 0.0 111.126 -179.874 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.4 t -179.05 -166.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.42 153.59 46.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.785 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -115.78 114.19 24.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -71.74 116.64 12.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 59.1 m -68.4 142.41 55.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -96.56 21.4 9.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.88 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.88 28.22 31.2 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.751 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -106.08 -34.11 7.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.779 0.323 . . . . 0.0 110.995 -179.895 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.9 p -171.55 173.11 4.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 -179.93 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -30.98 66.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.69 96.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.946 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.3 m -62.96 149.37 90.47 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.04 177.42 5.79 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.566 2.177 . . . . 0.0 112.352 179.93 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -109.95 31.67 5.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.414 ' CD2' ' N ' ' A' ' 42' ' ' TYR . 4.1 m-85 -118.47 82.81 19.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.21 137.79 54.86 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.551 2.167 . . . . 0.0 112.285 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.534 179.945 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.789 0.328 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 13.5 ttm 60.67 35.34 19.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -132.13 132.68 43.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.4 m -106.15 150.52 25.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.16 108.35 20.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.8 p -109.41 158.6 17.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.79 -178.23 19.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.49 -32.4 19.76 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.55 2.167 . . . . 0.0 112.316 179.931 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.1 t -98.82 31.45 2.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 96.8 m -152.61 146.04 24.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -102.68 71.77 1.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 68.2 -68.59 0.17 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.011 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.13 39.17 3.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -154.01 143.81 21.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.11 144.1 27.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -75.0 157.73 85.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.72 143.96 57.99 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.508 2.138 . . . . 0.0 112.319 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.42 162.19 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.049 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.3 23.28 57.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.528 -179.915 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.3 m -118.6 127.47 53.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 110.832 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 t -59.35 168.9 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.8 p -145.56 -46.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -88.37 156.5 19.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -151.22 80.36 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.84 64.06 8.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 78.01 -56.61 0.49 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.047 -179.915 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.02 -44.83 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.175 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.45 152.05 39.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -148.66 178.8 8.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -126.83 123.11 36.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -80.36 118.31 21.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.62 142.22 27.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.6 p -98.85 17.77 18.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.242 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.38 27.34 16.58 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.812 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -102.06 -33.45 9.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.763 0.316 . . . . 0.0 110.962 -179.949 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -152.79 167.46 28.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 69.3 m -71.65 -30.57 65.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -78.57 107.99 11.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.5 m -60.17 149.76 73.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.26 177.46 5.9 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.598 2.199 . . . . 0.0 112.327 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.0 m -103.72 32.37 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -109.45 86.95 4.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.9 95.03 0.55 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.581 2.187 . . . . 0.0 112.299 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.499 -179.992 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.766 0.317 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 17.7 ttm 60.59 109.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -137.89 142.95 40.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -130.7 143.65 50.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.17 161.42 13.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.81 139.29 53.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.5 -178.09 26.3 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.53 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 -29.97 23.43 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.599 2.199 . . . . 0.0 112.3 179.929 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.0 t -72.12 -30.42 65.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.9 m -100.7 153.47 19.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -90.92 51.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.812 179.937 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? 71.99 8.11 5.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.515 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.53 -63.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.774 0.321 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -91.86 145.88 24.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 -179.84 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 pp -82.89 157.16 23.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -78.96 161.29 69.11 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.26 145.08 83.05 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.612 2.208 . . . . 0.0 112.355 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.83 112.36 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.09 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.16 25.9 4.25 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.582 179.943 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.3 m -129.47 144.8 51.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.419 HG22 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -59.89 172.62 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.947 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.3 p -157.72 -45.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.443 ' CE2' ' CG2' ' A' ' 25' ' ' THR . 9.7 t90 -74.5 -68.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.65 107.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.969 179.914 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.443 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 18.0 p -133.38 63.71 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 77.63 -56.58 0.51 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.03 -179.922 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.8 m -132.59 -44.84 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.181 -179.987 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -83.13 134.32 35.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.5 p -152.71 152.93 32.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -108.78 133.77 52.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.419 ' CE1' HG22 ' A' ' 21' ' ' THR . 4.4 m-85 -93.73 126.73 39.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.78 141.07 49.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.5 t -96.26 21.54 8.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.79 26.56 17.93 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.759 179.936 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.08 -33.58 6.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.828 0.347 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.3 m -159.7 172.67 17.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.83 -29.43 64.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.17 142.23 52.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 71.7 m -104.12 90.23 2.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.22 175.08 7.16 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.536 2.157 . . . . 0.0 112.265 -179.971 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.5 p -85.24 57.24 4.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -122.65 73.05 42.36 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.48 -167.97 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.574 2.183 . . . . 0.0 112.291 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.533 -179.981 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.787 0.327 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.3 tpp -139.97 139.35 36.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -91.77 119.43 31.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.4 m -107.24 111.05 23.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.57 172.59 4.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.75 169.57 17.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.51 168.2 11.81 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.3 -54.7 4.77 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.538 2.159 . . . . 0.0 112.311 179.976 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.66 -28.27 67.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.29 123.19 20.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.3 ttm-85 -79.76 -21.6 44.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 179.943 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 167.6 -29.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.321 -179.906 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.2 t -151.1 -46.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.818 179.926 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.1 mtmm -90.66 168.36 11.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.45 139.77 32.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.974 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -58.88 165.92 2.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.72 146.57 84.21 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.577 2.185 . . . . 0.0 112.338 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.88 165.19 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.077 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.42 19.79 48.74 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.567 -179.95 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.8 m -109.36 122.11 46.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.8 0.333 . . . . 0.0 110.81 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.409 HG21 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -60.02 154.95 17.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.973 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.2 p -162.26 41.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 -179.929 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -176.59 160.45 2.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -162.33 117.83 1.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.679 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.36 77.63 1.76 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 -179.811 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 t 54.68 79.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.305 179.688 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.4 t 71.61 30.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.077 179.777 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.41 169.51 15.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.779 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.6 p -177.12 137.57 0.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.406 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 5.2 m170 -113.11 133.51 54.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.783 179.922 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.409 ' CZ ' HG21 ' A' ' 21' ' ' THR . 78.9 m-85 -102.68 140.26 37.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.006 -179.866 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.9 m -81.38 156.36 25.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.791 179.904 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.5 t -108.5 21.23 17.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.079 -179.993 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.65 27.63 27.72 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.674 179.891 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.4 -33.81 9.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.0 t -154.95 172.5 17.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 m -73.1 -30.24 63.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.6 156.63 32.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 88.4 m -105.27 87.97 2.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.0 172.37 12.02 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.578 2.185 . . . . 0.0 112.287 -179.973 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.406 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 0.8 OUTLIER -86.01 57.45 4.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.984 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -122.22 79.73 44.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.92 -169.0 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.555 2.17 . . . . 0.0 112.288 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.492 179.957 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.816 0.341 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.4 ttm -160.61 -62.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -65.41 136.49 56.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.6 m -67.13 124.72 23.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.9 p -88.44 129.56 35.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.0 m -114.9 139.52 49.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.78 -169.49 31.21 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.7 -30.32 18.06 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.595 2.197 . . . . 0.0 112.372 179.977 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -98.98 29.84 3.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.5 m -147.52 141.32 25.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 179.957 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -90.35 51.99 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 179.898 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 73.19 6.2 5.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.499 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 54.1 t -178.91 -56.9 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.838 0.352 . . . . 0.0 110.951 179.959 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -69.08 167.44 16.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.033 -179.893 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.4 131.33 54.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -59.42 148.7 72.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.31 144.98 92.55 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.607 2.204 . . . . 0.0 112.346 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.3 122.43 17.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.44 22.92 7.51 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.597 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.7 m -115.81 139.09 50.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.855 0.359 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.444 ' CG2' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -76.27 142.35 41.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.995 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.8 p -118.63 -40.78 2.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -94.03 109.82 21.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -108.26 35.16 3.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.2 172.5 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.4 m -95.99 61.55 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -176.59 -39.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.142 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -163.62 163.28 24.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.7 p -138.33 161.0 38.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.402 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.5 m-70 -134.02 149.04 51.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.444 ' CZ ' ' CG2' ' A' ' 21' ' ' THR . 9.4 m-85 -114.12 156.76 23.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 m -100.48 168.02 10.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.1 t -122.37 26.0 8.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.28 27.58 47.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.656 179.941 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 -107.54 -38.34 5.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 m -164.74 167.39 19.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -28.9 63.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -59.82 96.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 95.6 m -61.68 149.57 84.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.12 160.54 49.25 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.572 2.181 . . . . 0.0 112.302 179.966 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.9 p -108.18 33.56 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -136.05 86.41 26.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.76 112.9 3.2 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.551 2.167 . . . . 0.0 112.347 179.934 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.331 -1.26 . . . . 0.0 112.476 -179.996 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.789 0.328 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.5 mtt -106.07 31.75 4.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -88.57 179.44 6.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.7 m -80.76 110.51 16.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.0 m -86.91 112.41 21.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.8 138.81 52.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.72 162.86 29.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.577 179.976 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.25 -26.0 42.32 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.598 2.199 . . . . 0.0 112.428 179.939 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.1 t -102.64 35.93 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -160.05 104.83 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.032 -179.872 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.57 82.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.56 179.766 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 71.86 -65.36 0.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -131.74 -32.75 1.45 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.589 -179.81 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -79.07 129.95 34.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.846 0.355 . . . . 0.0 111.058 -179.69 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.36 151.47 19.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -66.58 155.94 87.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -57.31 144.59 90.71 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.584 2.189 . . . . 0.0 112.297 -179.932 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.82 107.89 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.007 179.876 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.1 26.54 3.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.587 -179.921 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.4 m -121.41 142.4 50.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.782 0.325 . . . . 0.0 110.807 179.919 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.41 HG21 ' CD1' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -81.73 139.13 35.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 -179.984 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 p -113.49 -36.8 4.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -103.71 -177.41 3.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -179.34 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.9 t -58.34 172.96 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.073 -179.988 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.5 t 64.03 16.85 10.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.287 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.7 t 69.24 30.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.937 0.399 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.7 p -151.23 134.0 15.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.999 -179.935 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.13 84.14 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.925 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -59.63 151.32 25.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.41 ' CD1' HG21 ' A' ' 21' ' ' THR . 3.2 m-85 -102.31 172.51 6.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.16 125.75 44.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.949 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.2 t -97.24 20.34 11.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.881 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.01 27.16 21.19 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.69 179.901 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -99.57 -34.57 10.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.34 . . . . 0.0 110.981 -179.861 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -139.95 159.59 41.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.5 m -72.16 -26.8 62.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.026 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -96.38 139.73 32.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 32.6 m -59.96 148.46 76.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.55 177.85 6.32 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.52 2.147 . . . . 0.0 112.33 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -106.27 36.62 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -137.95 151.51 70.32 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.89 -27.03 26.37 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.552 2.168 . . . . 0.0 112.366 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.343 -1.254 . . . . 0.0 112.504 179.986 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.827 0.346 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.5 ptt? -138.97 137.04 36.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 179.971 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -106.87 -38.29 6.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.9 m 61.11 112.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.08 137.14 43.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.4 p -108.59 143.64 37.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.12 -174.92 30.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.52 -34.55 15.12 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.608 2.206 . . . . 0.0 112.292 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 54.0 t -71.29 -31.45 67.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.2 m -91.85 118.7 30.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -60.04 -72.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -133.66 6.62 3.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.58 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 179.26 -62.06 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.798 0.333 . . . . 0.0 110.987 179.949 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -85.93 157.85 20.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.987 -179.856 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.58 152.65 25.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -67.09 160.77 68.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.66 145.46 38.6 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.562 2.175 . . . . 0.0 112.376 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.24 112.67 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 -179.98 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.26 26.84 6.09 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.557 -179.973 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.2 m -111.28 164.88 12.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.832 0.349 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.41 HG21 ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -81.65 154.95 25.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.978 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.8 p -157.21 -45.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.402 ' CZ2' HG22 ' A' ' 25' ' ' THR . 19.2 t90 -108.4 106.7 16.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -119.28 88.2 2.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.402 HG22 ' CZ2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -95.43 159.3 15.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.996 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 p -60.3 -31.25 70.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.52 -33.39 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.3 p -176.85 -173.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -149.63 134.73 18.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -106.73 176.82 5.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.41 ' CZ ' HG21 ' A' ' 21' ' ' THR . 31.3 m-85 -130.91 159.18 38.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 t -91.31 150.48 21.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.69 17.71 23.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.21 179.953 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.07 23.19 23.33 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.796 179.932 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -116.59 -33.21 4.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.717 0.294 . . . . 0.0 111.075 179.985 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -148.72 163.47 37.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.98 -28.65 63.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -74.41 108.91 7.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.9 m -59.73 110.53 2.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -52.09 171.78 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.461 2.107 . . . . 0.0 112.287 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -102.47 34.64 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -123.41 79.72 53.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.17 113.45 1.2 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.536 2.157 . . . . 0.0 112.311 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.505 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 52.7 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.842 0.353 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.519 HG22 ' HB2' ' A' ' 37' ' ' CYS . 85.4 m 60.22 75.61 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.4 p -57.99 116.42 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.991 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.27 166.56 34.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.548 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.6 -26.29 28.78 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.621 2.214 . . . . 0.0 112.386 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.1 t -98.22 30.37 3.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.967 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 m -162.14 119.17 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.82 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.7 mtt85 -72.54 -76.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -109.63 -27.03 9.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -172.32 -40.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.8 154.45 40.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.796 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -104.99 140.51 38.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.962 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.0 152.11 14.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.054 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.71 144.69 42.03 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.589 2.193 . . . . 0.0 112.392 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.55 108.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.032 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.7 25.42 4.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.548 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 78.7 m -113.46 109.59 18.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 110.776 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.8 107.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.7 p -75.14 -42.82 55.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -114.37 123.77 50.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -122.54 79.42 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.51 166.78 10.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.17 -31.47 67.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 m -74.38 -33.04 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.92 -170.07 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.6 p -160.58 138.45 9.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -101.98 157.32 16.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -124.64 171.49 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 99.4 m -111.56 125.9 54.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.5 p -96.32 21.64 8.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.076 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.407 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 51.42 27.15 16.3 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.781 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.01 -68.11 0.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.954 0.407 . . . . 0.0 111.023 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.4 t -124.9 169.65 11.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.519 ' HB2' HG22 ' A' ' 5' ' ' THR . 10.1 m -79.13 -27.01 42.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -62.12 100.95 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.0 m -59.16 110.1 2.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.63 163.16 1.98 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.437 2.091 . . . . 0.0 112.289 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.6 p -104.16 32.87 3.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -115.45 83.74 11.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.21 -176.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.59 2.193 . . . . 0.0 112.312 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.36 -1.245 . . . . 0.0 112.514 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.886 0.374 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.4 m 61.3 155.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 p -130.78 172.02 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.17 -176.16 23.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.8 -27.71 21.18 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.532 2.155 . . . . 0.0 112.369 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.8 t -72.94 -47.12 48.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.9 p -103.08 135.24 45.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -59.74 -74.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -135.42 6.32 3.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.585 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.5 t -178.8 -50.22 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.797 0.332 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -84.75 136.48 33.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.957 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.419 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -98.77 150.96 21.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -60.06 162.9 8.92 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.06 145.96 90.28 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.627 2.218 . . . . 0.0 112.328 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.775 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.14 115.91 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.093 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.72 17.59 6.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.681 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.469 HG22 ' H ' ' A' ' 21' ' ' THR . 0.8 OUTLIER -111.02 172.39 6.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 110.916 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.476 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -90.85 161.19 15.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.0 p -142.65 -46.81 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -113.82 111.87 22.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -109.79 78.8 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.461 HG22 ' H ' ' A' ' 26' ' ' SER . 0.6 OUTLIER -85.9 172.46 10.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.461 ' H ' HG22 ' A' ' 25' ' ' THR . 1.4 t -92.45 49.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -178.49 -38.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 t -150.3 144.82 25.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -130.09 144.49 51.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -103.48 -177.93 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.476 ' CE2' HG23 ' A' ' 21' ' ' THR . 69.4 m-85 -143.74 165.1 28.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 88.9 m -101.88 130.02 48.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.633 HG23 ' HB2' ' A' ' 35' ' ' ARG . 5.7 t -95.2 18.36 12.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.775 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 52.4 27.1 24.2 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.71 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.633 ' HB2' HG23 ' A' ' 33' ' ' THR . 23.3 mmt85 -111.49 -33.94 6.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 0.0 110.958 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -171.44 172.98 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 38.0 m -71.74 -30.94 66.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -60.38 86.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.74 110.84 6.08 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.812 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.449 ' HG2' ' CE1' ' A' ' 42' ' ' TYR . 37.5 Cg_endo -66.18 176.32 4.03 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.37 2.047 . . . . 0.0 112.318 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 t -112.81 69.46 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.449 ' CE1' ' HG2' ' A' ' 40' ' ' PRO . 15.2 p90 -114.46 61.1 1.12 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.976 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.55 106.85 0.93 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.554 2.169 . . . . 0.0 112.257 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.423 -1.209 . . . . 0.0 112.514 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.0 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.838 0.351 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.18 85.25 5.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.1 p -57.15 108.76 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.006 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.32 -166.89 16.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.429 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -82.31 48.71 2.89 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.765 2.31 . . . . 0.0 112.682 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER 178.96 36.56 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.827 0.346 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 m -163.24 118.69 1.72 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -125.08 128.84 49.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.688 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 63.42 16.08 9.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.175 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.5 t 78.53 61.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -152.79 110.66 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.775 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.622 HD11 ' C ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -55.54 120.5 7.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.6 ' HE3' HG21 ' A' ' 20' ' ' THR . 7.5 mttp -59.06 165.28 3.61 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.83 144.8 84.57 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.602 2.201 . . . . 0.0 112.345 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.18 111.15 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.978 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.69 24.27 4.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.583 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.6 HG21 ' HE3' ' A' ' 16' ' ' LYS . 8.0 m -97.92 129.84 44.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.835 0.35 . . . . 0.0 110.826 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.791 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -60.66 150.86 30.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.936 -179.868 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.0 p -141.0 -47.19 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.65 125.19 40.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -127.78 34.74 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.49 173.06 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.61 49.16 1.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -152.56 -45.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.166 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -175.53 122.52 0.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.2 m -84.77 159.21 20.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -128.33 -178.7 4.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.791 ' CE2' HG23 ' A' ' 21' ' ' THR . 23.3 m-85 -139.06 169.94 16.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 90.4 m -97.59 154.03 17.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.781 HG23 ' HB2' ' A' ' 35' ' ' ARG . 9.7 t -110.7 22.71 15.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.101 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.44 27.09 32.44 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.742 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.781 ' HB2' HG23 ' A' ' 33' ' ' THR . 4.1 tpt180 -106.07 -35.88 7.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.403 ' N ' HD11 ' A' ' 15' ' ' LEU . 22.6 t -157.86 168.81 26.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.5 m -73.84 -29.06 61.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.31 136.07 57.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.8 t -78.88 118.99 75.61 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -51.62 149.1 19.36 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.448 2.099 . . . . 0.0 112.338 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.0 t -98.65 30.86 3.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -148.72 148.37 27.69 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.97 99.51 0.88 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.522 2.148 . . . . 0.0 112.31 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.337 -1.257 . . . . 0.0 112.458 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.1 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.884 0.373 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.1 m 61.39 154.68 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.21 157.81 28.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.08 164.1 12.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.28 -27.27 30.0 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.524 2.15 . . . . 0.0 112.336 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.4 t -75.5 -49.33 19.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.6 p -100.18 122.75 43.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -75.77 -70.48 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -109.68 -28.2 8.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.4 t -176.38 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -77.45 105.85 8.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -76.43 149.32 36.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -59.12 150.28 63.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.82 148.3 37.88 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.48 108.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.095 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.6 23.69 5.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.523 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.2 m -123.28 137.75 54.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.775 0.322 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.5 t -54.36 147.37 13.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.8 p -122.98 -43.21 2.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.43 ' CZ2' HG21 ' A' ' 25' ' ' THR . 14.8 t90 -85.86 -69.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.4 tttm 61.36 105.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.43 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -143.32 172.48 12.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.6 t -64.79 -30.59 71.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.949 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.3 m -79.43 -36.82 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.211 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -179.9 -176.55 0.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -134.93 156.81 48.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.404 ' CE1' ' O ' ' A' ' 40' ' ' PRO . 23.2 m170 -118.56 117.6 29.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -81.63 114.37 20.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.0 t -64.41 147.81 51.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.4 p -94.31 12.82 25.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.308 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.24 26.66 21.78 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.839 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -129.23 -44.37 1.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.348 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.65 152.45 51.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.2 m -72.11 -23.53 61.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -62.78 97.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 71.9 m -63.3 147.41 95.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.404 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 51.7 Cg_exo -52.77 177.51 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.528 2.152 . . . . 0.0 112.302 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 m -111.48 -33.5 6.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -110.69 156.11 41.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.93 147.52 61.97 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.56 2.173 . . . . 0.0 112.314 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.451 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.711 0.291 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 t 43.48 93.69 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.461 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 7' ' ' GLY . 2.0 m -106.98 168.65 9.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.415 ' H ' HG22 ' A' ' 6' ' ' THR . . . 161.01 -166.76 35.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.37 -39.98 79.71 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.589 2.192 . . . . 0.0 112.316 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.06 26.37 5.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.8 m -151.38 123.93 8.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.8 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -80.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.824 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -137.1 6.2 2.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.573 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.7 t -178.34 -43.58 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -88.8 159.42 17.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.407 HD23 ' H ' ' A' ' 15' ' ' LEU . 1.1 pt? -116.59 153.46 32.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -59.42 150.17 66.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.94 144.4 45.24 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.579 2.186 . . . . 0.0 112.334 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.738 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.83 107.07 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.058 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.89 27.13 3.59 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.529 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.5 m -118.26 157.01 27.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.99 138.78 38.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.8 p -115.88 -39.27 3.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.651 ' CH2' HG21 ' A' ' 25' ' ' THR . 0.9 OUTLIER -117.5 130.47 56.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -133.22 31.45 3.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.651 HG21 ' CH2' ' A' ' 23' ' ' TRP . 9.6 t -61.27 172.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.5 t -88.59 53.62 2.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -152.48 -45.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.185 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.2 p -176.0 115.39 0.13 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -73.57 150.23 41.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -118.42 -179.48 3.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -140.95 172.42 12.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.92 137.05 54.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.7 t -103.84 23.54 12.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.05 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.738 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 54.13 34.41 52.88 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.657 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -114.67 -69.08 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.966 0.412 . . . . 0.0 110.981 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -134.19 172.29 13.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.8 m -72.85 -32.73 65.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -59.32 100.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 77.0 m -61.41 148.58 85.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.75 177.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.504 2.136 . . . . 0.0 112.343 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.4 t -123.09 30.25 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.406 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 12.6 p90 -173.23 84.2 0.4 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.99 154.43 66.83 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.537 2.158 . . . . 0.0 112.315 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.49 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.1 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.775 0.322 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.65 172.09 6.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.72 156.79 19.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.8 167.84 12.82 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.84 59.16 5.0 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.659 2.239 . . . . 0.0 112.464 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -179.21 37.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.918 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.3 140.65 17.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.4 51.88 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 73.02 5.72 5.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.554 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -179.83 -54.8 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.822 0.344 . . . . 0.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -82.06 139.73 34.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.659 HD12 ' HA2' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -96.31 148.96 22.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -59.7 153.38 52.52 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.44 143.97 42.54 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.61 2.207 . . . . 0.0 112.302 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.54 108.62 1.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.93 26.78 3.71 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.0 m -103.86 167.68 9.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.785 0.326 . . . . 0.0 110.814 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.765 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -105.27 108.91 20.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.4 p -98.23 -31.46 12.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -123.45 124.5 43.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -135.49 38.17 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.6 m -60.36 156.07 16.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.7 -29.88 68.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -72.67 -32.51 41.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.2 p -176.58 170.84 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.9 p -140.55 113.99 8.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.405 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 9.2 m170 -96.15 -177.29 3.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.765 ' CZ ' HG23 ' A' ' 21' ' ' THR . 28.8 m-85 -140.67 172.16 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.59 127.72 54.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.5 p -97.01 22.81 7.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.659 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 52.91 29.65 35.12 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.707 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -112.12 -34.24 6.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.338 . . . . 0.0 111.002 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.3 m -145.52 172.98 12.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.1 m -96.43 10.61 37.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.266 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -119.34 124.51 46.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.834 0.349 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.3 m -59.73 110.42 2.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.09 157.69 5.93 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.428 2.086 . . . . 0.0 112.317 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 p -60.15 -32.92 71.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -101.96 149.73 36.79 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.12 -177.59 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.599 2.2 . . . . 0.0 112.312 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.487 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.1 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.865 0.365 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.467 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER 60.3 172.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.467 ' H ' HG22 ' A' ' 5' ' ' THR . 0.9 OUTLIER -140.62 141.5 35.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.55 159.32 10.58 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.54 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.55 62.15 2.87 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.574 2.183 . . . . 0.0 112.346 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -177.19 37.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.2 p -170.53 155.52 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.6 51.77 2.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 72.04 6.52 5.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.576 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 t -176.61 -51.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -81.03 122.14 26.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.436 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -90.2 140.79 29.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -58.83 155.34 31.85 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.54 146.28 43.59 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.558 2.172 . . . . 0.0 112.342 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.6 108.11 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.33 23.48 4.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.56 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.5 m -112.16 113.88 26.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.366 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 t -58.2 166.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.047 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.5 p -135.55 -46.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -83.19 137.22 34.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -133.68 73.37 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.31 63.41 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 77.7 -56.52 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.024 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 28' ' ' SER . 11.4 p -135.22 -43.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.232 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.469 ' N ' HG13 ' A' ' 27' ' ' VAL . 58.8 m -60.01 146.59 42.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.55 144.77 10.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -106.87 108.99 20.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -73.42 116.55 14.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.6 m -74.13 147.51 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.806 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 65.1 p -99.5 18.13 18.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.179 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.16 32.28 12.87 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.768 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -112.08 -34.13 6.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.987 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -146.8 172.46 13.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.8 m -75.43 -30.63 60.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -58.42 158.91 6.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.4 m -114.09 88.21 14.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_exo -51.66 174.3 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.54 2.16 . . . . 0.0 112.333 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 m -98.13 36.45 1.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -106.91 80.07 0.74 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -26.96 27.15 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.544 2.163 . . . . 0.0 112.322 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.455 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.8 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.792 0.329 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 p 59.0 109.22 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.7 p -88.87 144.03 26.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.66 169.89 33.46 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.78 -27.66 53.68 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.601 2.201 . . . . 0.0 112.365 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.1 t -79.3 -30.38 42.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 m -100.69 136.8 39.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.03 -67.72 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -111.45 -27.33 8.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.8 t -175.08 -39.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.969 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.92 155.91 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.416 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -98.65 145.66 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.839 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -59.29 150.39 63.94 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.81 148.15 38.33 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.677 2.251 . . . . 0.0 112.411 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.27 115.11 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.94 21.1 8.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.427 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.3 m -114.23 132.57 56.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.826 0.345 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.492 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 1.6 t -59.11 133.54 56.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.6 p -102.53 -31.59 10.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.761 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -132.7 144.63 50.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -134.09 116.34 15.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.39 156.62 36.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.7 t -60.1 -33.18 71.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.7 m -82.19 -32.91 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.178 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -177.64 168.44 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.44 -178.71 4.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -119.46 179.95 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.791 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.492 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 5.7 m-85 -149.92 117.13 6.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.173 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.8 t -84.28 134.18 34.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.836 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.707 HG23 ' HB2' ' A' ' 35' ' ' ARG . 3.8 t -95.65 21.18 8.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.062 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.8 26.91 18.77 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.74 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.707 ' HB2' HG23 ' A' ' 33' ' ' THR . 8.2 mtm180 -104.63 -34.28 8.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.1 p -164.44 169.88 16.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.13 -30.11 64.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -65.22 111.6 3.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 74.6 m -67.23 153.52 94.53 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.41 177.39 6.09 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.542 2.161 . . . . 0.0 112.245 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.35 35.93 3.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -147.76 149.67 34.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.2 -27.01 28.39 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.593 2.195 . . . . 0.0 112.335 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.482 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 38.0 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.825 0.345 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -107.53 163.44 13.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.42 132.17 39.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.02 -171.75 42.49 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.55 -27.76 12.64 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.599 2.199 . . . . 0.0 112.362 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.8 t -81.19 -29.58 34.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.3 p -115.13 122.98 47.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -77.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -134.61 6.78 3.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.554 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.3 t -178.08 -52.67 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.817 0.342 . . . . 0.0 111.026 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -84.95 140.72 30.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.02 162.21 16.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -69.68 149.45 96.81 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.38 148.47 33.28 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.634 2.223 . . . . 0.0 112.336 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.91 118.48 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.76 16.26 17.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.601 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.7 m -113.49 112.24 23.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.863 0.363 . . . . 0.0 110.803 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 1.5 t -55.35 153.77 6.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.144 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.3 p -128.25 -44.05 1.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -97.1 161.99 13.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.813 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -178.19 133.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.553 HG22 ' HB3' ' A' ' 28' ' ' SER . 1.5 t -133.77 58.06 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.144 0.497 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.743 ' O ' HG13 ' A' ' 27' ' ' VAL . 3.9 m 54.69 23.06 4.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.787 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.743 HG13 ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -176.85 -49.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.924 0.392 . . . . 0.0 111.448 179.74 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.553 ' HB3' HG22 ' A' ' 25' ' ' THR . 7.2 t -88.73 175.71 7.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.04 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.52 144.43 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.816 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -115.16 114.93 25.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 3.8 m-85 -80.88 125.57 30.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.997 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 57.4 m -75.06 137.26 41.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 t -92.32 13.86 18.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.51 27.72 26.91 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.639 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.0 ttp85 -110.79 -34.49 6.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.77 0.319 . . . . 0.0 110.983 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 m -154.27 172.51 17.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.999 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.6 t -73.97 -28.33 61.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -57.04 149.93 18.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 94.8 m -113.74 88.71 14.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -51.42 177.67 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.557 2.171 . . . . 0.0 112.349 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.5 p -95.25 44.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -106.16 86.04 1.88 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -26.97 27.19 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.581 2.187 . . . . 0.0 112.288 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.497 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.845 0.355 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.504 HG22 ' HB3' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 59.58 97.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.48 120.95 26.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.72 -175.31 41.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.531 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.09 -28.1 24.09 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.564 2.176 . . . . 0.0 112.295 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 54.3 m -74.71 -31.99 62.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.8 m -100.12 127.33 46.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -72.96 -74.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -107.97 -28.41 9.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -169.14 -42.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.31 130.87 35.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.447 HD13 ' HA2' ' A' ' 34' ' ' GLY . 4.5 pp -67.05 165.53 15.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -81.08 159.46 68.13 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.8 145.13 94.69 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.588 2.192 . . . . 0.0 112.326 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.7 113.83 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.87 25.51 4.49 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.526 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.6 m -124.58 147.39 48.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.669 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -65.06 167.81 7.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.3 p -154.89 -44.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.025 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.517 ' CE3' HG22 ' A' ' 25' ' ' THR . 1.3 t90 -83.34 -69.23 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.936 0.398 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.9 tttt 55.4 85.96 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.064 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.517 HG22 ' CE3' ' A' ' 23' ' ' TRP . 8.0 t -143.46 121.31 11.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.39 31.51 20.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.579 ' O ' HG12 ' A' ' 27' ' ' VAL . 14.9 t 70.56 31.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.4 t -144.84 94.5 2.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.561 ' CB ' HG22 ' A' ' 21' ' ' THR . 3.3 p -96.96 174.48 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.423 ' CD2' ' CE3' ' A' ' 23' ' ' TRP . 14.1 m170 -106.89 -26.39 11.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.669 ' CZ ' HG23 ' A' ' 21' ' ' THR . 26.7 m-85 62.67 145.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.52 153.27 21.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.9 p -110.26 20.86 17.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.447 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . 52.17 25.73 18.9 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.746 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -112.05 -33.79 6.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.0 t -147.0 173.41 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.504 ' HB3' HG22 ' A' ' 5' ' ' THR . 2.3 t -96.04 10.81 36.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.213 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -115.55 107.1 14.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.812 0.339 . . . . 0.0 110.843 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.9 m -57.99 109.33 1.72 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.18 172.96 11.15 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.397 2.065 . . . . 0.0 112.326 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.7 t -85.38 57.31 4.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -141.15 87.3 10.8 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.9 -174.72 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.577 2.185 . . . . 0.0 112.311 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.521 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 38.2 m . . . . . 0 N--CA 1.462 0.13 0 CA-C-O 120.84 0.352 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.468 HG22 ' HB2' ' A' ' 37' ' ' CYS . 98.0 m 63.33 144.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.676 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 p -105.2 157.58 17.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.06 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.44 160.7 10.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.388 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -51.36 -24.76 16.69 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.574 2.183 . . . . 0.0 112.478 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 t -80.46 -34.51 35.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.4 m -107.62 125.56 51.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.001 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -74.62 -71.49 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.806 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -112.8 -26.14 8.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.2 t -174.01 -40.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -58.36 172.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.506 HD22 ' HA2' ' A' ' 34' ' ' GLY . 0.8 OUTLIER -128.16 126.88 41.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.404 ' N ' HD23 ' A' ' 15' ' ' LEU . 28.5 mttm -57.98 162.45 5.43 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.965 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.52 146.18 73.19 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.568 2.179 . . . . 0.0 112.368 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.95 160.57 5.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.068 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.35 24.44 59.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.554 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.8 m -119.84 131.3 55.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.358 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 9.7 t -58.48 149.17 25.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.5 p -123.81 -41.46 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -77.71 -66.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.0 tttt 60.96 79.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.46 172.28 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.4 m -91.57 59.68 3.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.44 -38.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.69 122.87 1.02 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.6 p -97.21 157.94 15.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -125.09 120.22 30.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.763 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 2.7 m-85 -83.47 120.05 25.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.9 t -76.6 138.25 40.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.5 p -93.53 15.89 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.201 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.506 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . 50.44 26.19 9.58 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.771 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.9 -36.07 8.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.988 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.2 t -159.02 165.92 32.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.468 ' HB2' HG22 ' A' ' 5' ' ' THR . 8.0 m -71.92 -29.04 63.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -69.9 89.3 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 97.9 m -59.1 149.1 68.75 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.11 178.25 4.35 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.533 2.155 . . . . 0.0 112.241 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 m -101.05 -31.29 11.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 32.7 p90 -82.84 148.69 58.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.7 176.35 7.61 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.562 2.174 . . . . 0.0 112.286 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.523 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 p -72.95 116.68 13.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.6 p -109.3 172.03 7.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.45 171.99 14.75 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.68 -27.85 35.18 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.558 2.172 . . . . 0.0 112.305 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.93 35.84 2.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.1 m -155.25 125.29 6.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -59.26 -31.58 69.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.969 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 165.75 -29.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.276 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 91.7 m -134.48 -45.89 0.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -86.28 169.87 12.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -128.75 144.98 51.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -59.67 153.85 49.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.72 147.74 86.13 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.579 2.186 . . . . 0.0 112.37 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.532 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -57.39 114.8 2.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.43 15.63 7.51 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.68 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.445 HG22 ' N ' ' A' ' 21' ' ' THR . 67.1 m -100.01 161.99 13.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 0.0 110.828 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.445 ' N ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER -99.32 118.45 36.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.2 p -102.29 -43.28 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -114.83 151.57 33.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -179.22 109.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.503 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.1 m -155.69 60.96 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.984 0.421 . . . . 0.0 111.009 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.9 m 45.95 30.0 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.47 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 25' ' ' THR . 8.7 m -117.61 -40.4 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.182 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.89 -37.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t 65.02 96.51 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -78.99 175.78 10.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -135.12 172.73 12.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.43 131.46 42.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.4 18.39 12.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.532 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 49.92 26.51 8.54 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.758 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -119.45 -40.44 2.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 111.071 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -148.83 168.68 22.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.01 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.9 m -74.96 -28.92 60.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -63.8 143.27 57.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.8 m -95.05 148.27 34.4 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.73 151.18 63.37 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.586 2.191 . . . . 0.0 112.295 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -63.27 -31.68 72.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -105.84 156.07 37.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.86 -27.09 26.41 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.561 2.174 . . . . 0.0 112.306 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.378 -1.235 . . . . 0.0 112.47 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.0 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.789 0.328 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.19 150.31 21.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.6 p -103.64 152.0 22.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.66 166.33 13.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.542 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.53 -21.57 31.33 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.66 2.24 . . . . 0.0 112.56 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.6 36.0 1.43 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.12 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 p -178.3 122.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.837 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -59.51 -80.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -136.52 7.7 3.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.582 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -178.47 -47.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -73.35 157.09 37.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.436 HD11 ' C ' ' A' ' 36' ' ' SER . 0.9 OUTLIER -119.63 136.25 54.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -56.94 148.97 46.84 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.28 144.3 39.8 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.588 2.192 . . . . 0.0 112.337 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.714 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -62.39 107.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.34 28.03 3.43 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.7 m -109.9 150.74 27.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.763 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -80.79 137.33 36.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.9 p -127.35 -45.25 1.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -94.64 147.76 22.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -169.08 92.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.57 ' O ' HG23 ' A' ' 25' ' ' THR . 10.0 t -96.43 74.12 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 78.06 -56.56 0.49 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.059 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 28' ' ' SER . 11.3 p -133.05 -44.77 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.173 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.525 ' HB3' HG22 ' A' ' 25' ' ' THR . 0.3 OUTLIER -69.74 115.53 9.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.876 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.3 p -128.69 143.72 51.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -108.16 -179.4 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.763 ' CZ ' HG23 ' A' ' 21' ' ' THR . 20.0 m-85 -139.96 171.64 13.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.7 m -117.03 152.54 34.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.518 HG23 ' HB2' ' A' ' 35' ' ' ARG . 10.1 t -111.82 20.72 16.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.97 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.714 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 51.19 32.6 29.05 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.645 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.518 ' HB2' HG23 ' A' ' 33' ' ' THR . 7.0 mtt180 -113.23 -35.3 5.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.758 0.313 . . . . 0.0 111.061 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.436 ' C ' HD11 ' A' ' 15' ' ' LEU . 27.4 t -152.8 172.51 16.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.046 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.7 m -72.26 -29.69 64.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -58.49 158.67 7.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.0 m -114.51 87.3 13.84 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.13 172.56 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.551 2.167 . . . . 0.0 112.271 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.7 m -97.75 40.1 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -106.79 81.79 0.95 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.89 -167.99 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.59 2.193 . . . . 0.0 112.287 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.506 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.4 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.877 0.37 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.454 HG22 ' HB2' ' A' ' 37' ' ' CYS . 87.1 m -147.23 151.27 36.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.2 p -104.83 156.54 17.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.41 167.25 12.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.551 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.68 -25.06 48.88 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.641 2.227 . . . . 0.0 112.492 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.0 t -95.21 41.81 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.1 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.2 p 178.37 139.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 ttt85 -74.93 -79.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -134.66 7.11 3.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.499 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -179.78 -42.21 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.867 0.365 . . . . 0.0 110.773 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -90.51 138.22 31.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.8 152.19 19.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -58.81 151.94 51.07 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -55.52 149.65 46.84 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.63 2.22 . . . . 0.0 112.381 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.28 119.14 5.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.066 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.16 22.5 12.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.6 m -110.68 127.71 55.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.92 0.39 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -58.28 165.19 2.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.972 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 p -156.95 30.27 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.514 ' CH2' HG21 ' A' ' 25' ' ' THR . 2.0 t90 -144.28 -67.48 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? 56.77 76.24 0.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.041 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.514 HG21 ' CH2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -94.31 71.04 3.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 78.04 -56.53 0.49 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.033 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.479 HG13 ' N ' ' A' ' 28' ' ' SER . 11.4 p -133.7 -44.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.196 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.479 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -75.39 175.77 8.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.967 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.98 158.31 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.402 ' CD2' ' CE3' ' A' ' 23' ' ' TRP . 13.6 m170 -107.99 105.1 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -70.79 115.87 10.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.0 t -68.09 157.25 35.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.6 p -104.24 17.81 23.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.29 27.38 16.07 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.74 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -113.16 -68.83 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.984 0.421 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.57 164.02 13.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.454 ' HB2' HG22 ' A' ' 5' ' ' THR . 19.6 m -71.6 -29.08 64.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -67.84 120.41 14.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 81.4 m -71.89 147.37 91.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.96 131.75 18.73 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.542 2.161 . . . . 0.0 112.338 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.6 t -60.17 -31.5 70.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 32.7 p90 -93.83 151.35 39.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.87 130.26 18.9 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.615 2.21 . . . . 0.0 112.324 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.508 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.743 0.306 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.425 HG23 ' HB2' ' A' ' 37' ' ' CYS . 3.2 t 43.1 73.58 0.14 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.51 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.8 m -64.55 131.93 48.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.11 179.34 44.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.526 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.26 -39.44 72.11 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.595 2.197 . . . . 0.0 112.286 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.53 40.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.47 131.11 25.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.81 56.45 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.806 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 74.58 3.87 4.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.555 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 170.9 -51.61 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.82 0.343 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -77.56 157.68 30.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.495 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -97.88 138.73 34.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.963 -179.885 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -61.33 159.73 28.73 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.878 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.73 144.52 84.14 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.558 2.172 . . . . 0.0 112.257 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 161.91 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.144 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.35 24.09 58.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.563 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.7 m -116.58 139.08 50.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.325 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.631 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -75.98 145.27 40.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.5 p -120.04 -41.06 2.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -80.02 -67.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 tttt 58.64 86.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.455 HG22 ' H ' ' A' ' 26' ' ' SER . 1.1 m -125.19 172.17 9.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.455 ' H ' HG22 ' A' ' 25' ' ' THR . 0.8 OUTLIER -89.75 52.93 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.46 -38.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.187 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.5 m -167.2 134.2 2.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.4 p -130.02 161.25 31.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -124.76 159.53 30.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.631 ' CZ ' HG23 ' A' ' 21' ' ' THR . 77.1 m-85 -120.49 161.53 21.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.49 157.04 17.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.7 p -107.93 15.22 24.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.208 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.36 48.16 54.83 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.706 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.416 ' C ' HD13 ' A' ' 15' ' ' LEU . 8.9 ttm-85 -157.23 -45.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.387 . . . . 0.0 111.02 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.07 172.41 6.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.425 ' HB2' HG23 ' A' ' 5' ' ' THR . 13.7 m -120.47 28.27 8.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -126.93 110.91 13.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.4 m -57.58 109.7 1.96 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -51.65 177.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.477 2.118 . . . . 0.0 112.288 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -99.62 32.33 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -161.34 148.86 12.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.56 -178.56 2.71 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.529 2.152 . . . . 0.0 112.327 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.488 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.8 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.859 0.361 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.69 HG23 ' SG ' ' A' ' 37' ' ' CYS . 2.2 t -91.95 137.76 32.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.86 157.17 16.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.91 -176.07 32.74 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.522 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.56 -26.07 20.29 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.594 2.196 . . . . 0.0 112.435 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.22 40.98 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.011 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 p -177.22 132.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -67.61 -80.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -136.85 7.87 2.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.601 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -175.84 -46.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.784 0.326 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -86.16 160.84 19.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.54 150.78 37.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -58.43 158.4 14.94 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.94 143.41 40.03 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.564 2.176 . . . . 0.0 112.362 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.702 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -60.23 116.58 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.84 27.72 7.76 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.53 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.404 HG22 ' N ' ' A' ' 21' ' ' THR . 7.1 m -109.84 165.05 12.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.92 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -85.24 150.98 24.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.8 p -143.87 -46.94 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.441 ' CH2' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -75.84 162.63 27.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.85 97.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.441 ' CG2' ' CH2' ' A' ' 23' ' ' TRP . 4.1 t -161.19 138.33 8.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 59.98 30.08 19.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.576 ' O ' HG12 ' A' ' 27' ' ' VAL . 14.3 t 70.22 30.61 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.955 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -138.03 145.41 41.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.8 m -142.82 172.67 12.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -128.33 173.93 9.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.92 ' CE1' HG23 ' A' ' 21' ' ' THR . 5.3 m-85 -125.75 142.61 51.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 55.8 m -92.09 166.2 12.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.462 HG23 ' HG3' ' A' ' 35' ' ' ARG . 10.2 t -119.64 26.1 9.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.973 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.702 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 55.93 32.44 59.34 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.613 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.462 ' HG3' HG23 ' A' ' 33' ' ' THR . 7.1 mtt180 -112.21 -68.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.983 0.421 . . . . 0.0 110.963 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 m -131.54 172.7 11.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.69 ' SG ' HG23 ' A' ' 5' ' ' THR . 67.7 m -71.98 -31.1 65.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.52 97.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.3 m -58.47 109.98 2.25 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.37 177.36 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.444 2.096 . . . . 0.0 112.309 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -99.09 36.05 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -115.49 82.78 10.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.17 95.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.595 2.197 . . . . 0.0 112.316 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.426 ' HA2' ' CG ' ' A' ' 31' ' ' TYR . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.352 -1.249 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.842 0.353 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.553 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -93.25 112.11 23.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 t -143.0 157.26 44.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.82 -155.04 25.67 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.84 -26.72 26.93 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.599 2.199 . . . . 0.0 112.373 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 t -117.45 29.71 7.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.994 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.5 m -153.21 157.11 39.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.5 ttm-85 -126.89 101.78 6.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.789 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 65.68 -76.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.1 m -146.91 31.19 0.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -140.8 113.76 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.56 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.4 pp -79.05 152.03 31.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.56 ' O ' HD12 ' A' ' 15' ' ' LEU . 22.2 mttt -66.42 162.86 45.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -65.12 145.64 85.12 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.603 2.202 . . . . 0.0 112.367 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.42 113.67 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.055 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.2 22.98 5.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.568 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.55 HG21 ' HD3' ' A' ' 16' ' ' LYS . 11.4 m -96.97 164.37 12.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.665 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -108.67 108.04 18.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.883 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.4 p -94.03 -36.34 12.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.13 122.68 45.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -143.99 31.99 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.549 HG23 ' H ' ' A' ' 28' ' ' SER . 7.4 t -65.15 170.14 4.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 m -68.27 -26.75 65.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.044 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -72.78 -33.83 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.113 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.549 ' H ' HG23 ' A' ' 25' ' ' THR . 0.4 OUTLIER -178.09 -169.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.3 p -159.15 149.4 19.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -138.82 170.95 15.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.665 ' CZ ' HG23 ' A' ' 21' ' ' THR . 13.2 m-85 -131.74 172.1 12.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -114.96 151.39 34.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.8 p -104.93 20.86 18.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.46 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . 55.0 35.23 58.89 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.684 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.4 mmp_? -156.0 36.92 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.756 0.313 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.4 p -175.95 166.37 3.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.553 ' SG ' HG22 ' A' ' 5' ' ' THR . 93.8 m -118.85 27.42 8.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -147.66 132.34 17.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.9 m -65.07 148.23 97.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.17 177.47 5.83 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.572 2.181 . . . . 0.0 112.272 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.64 -31.44 12.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' A' ' 42' ' ' TYR . 40.9 p90 -91.05 110.07 39.67 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.92 -170.81 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.492 2.128 . . . . 0.0 112.296 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.396 -1.225 . . . . 0.0 112.484 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 76.7 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.877 0.37 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.429 HG22 ' N ' ' A' ' 6' ' ' THR . 96.2 m -95.97 162.17 13.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.743 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.429 ' N ' HG22 ' A' ' 5' ' ' THR . 0.2 OUTLIER -113.72 155.82 24.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.967 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.02 172.34 27.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.553 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -62.55 -30.0 78.97 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.638 2.225 . . . . 0.0 112.269 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.9 t -98.55 37.36 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.712 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.33 117.37 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.815 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -80.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -117.51 -19.48 9.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.396 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.2 t -169.59 -40.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.785 0.326 . . . . 0.0 111.023 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 pttt -78.12 139.37 39.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.571 HD12 ' HA2' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -99.53 148.21 24.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -57.38 161.83 5.16 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.986 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.04 145.33 33.92 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.595 2.197 . . . . 0.0 112.405 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.703 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -69.22 108.79 3.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.52 28.09 3.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.6 t -123.57 164.12 19.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.34 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.426 HG22 ' HB2' ' A' ' 29' ' ' SER . 0.0 OUTLIER -78.79 155.01 29.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.807 179.829 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.1 p -151.34 -46.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.538 ' CE2' HG23 ' A' ' 25' ' ' THR . 17.5 t90 -82.08 -80.6 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.022 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt 60.76 116.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.074 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.538 HG23 ' CE2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -113.23 56.84 0.68 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.213 0.53 . . . . 0.0 110.949 179.888 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m 55.29 21.77 4.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.693 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.489 HG13 ' N ' ' A' ' 28' ' ' SER . 14.7 p -179.48 -45.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.798 0.333 . . . . 0.0 111.495 179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.489 ' N ' HG13 ' A' ' 27' ' ' VAL . 48.0 t -121.21 127.84 51.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.426 ' HB2' HG22 ' A' ' 21' ' ' THR . 70.7 p -125.66 148.5 48.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -105.56 109.24 21.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.775 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -58.17 147.02 31.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -83.1 142.04 31.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 t -90.22 5.29 47.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.259 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.703 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 52.72 27.53 28.05 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.697 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.4 ttt85 -114.49 -36.16 4.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.797 0.332 . . . . 0.0 111.04 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m -133.04 170.33 15.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.975 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.3 m -72.16 -29.0 63.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -89.14 159.09 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.9 m -90.77 148.82 39.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.63 177.44 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.568 2.179 . . . . 0.0 112.273 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.2 t -118.51 31.48 6.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -158.89 150.56 16.95 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.93 91.6 0.53 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.609 2.206 . . . . 0.0 112.337 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.377 -1.235 . . . . 0.0 112.51 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.4 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.817 0.341 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.89 155.29 16.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.721 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.23 168.29 9.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.948 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.27 178.0 15.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.396 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -78.47 53.94 4.79 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.681 2.254 . . . . 0.0 112.548 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER 177.93 37.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.836 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 m -163.85 96.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.017 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -64.53 82.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.491 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 77.13 -59.9 0.47 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.1 t -140.16 -41.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.207 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -69.54 127.02 31.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.981 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.65 HD12 ' HA2' ' A' ' 34' ' ' GLY . 0.7 OUTLIER -89.0 150.35 22.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -61.77 154.08 68.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -62.55 146.34 95.43 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.593 2.195 . . . . 0.0 112.303 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.89 111.5 1.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.07 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.32 23.61 4.76 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.61 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 21' ' ' THR . 8.5 m -99.86 164.81 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 110.818 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.746 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -110.9 122.36 47.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.834 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.3 p -111.57 -44.88 3.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -92.67 156.63 16.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -176.69 79.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.9 p -90.7 71.82 6.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 77.95 -56.52 0.49 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.065 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 28' ' ' SER . 11.4 p -128.72 -43.77 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.47 ' N ' HG13 ' A' ' 27' ' ' VAL . 13.6 t -73.89 108.6 6.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.1 p -133.25 88.22 2.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.429 ' CD2' ' HG3' ' A' ' 43' ' ' PRO . 15.5 m170 -60.47 178.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.746 ' CZ ' HG23 ' A' ' 21' ' ' THR . 22.1 m-85 -138.31 161.81 35.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 67.3 m -99.25 134.89 41.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.7 p -97.08 23.47 7.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.085 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.65 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 53.88 26.93 35.21 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.647 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -104.9 -34.06 8.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 110.938 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -155.22 161.07 41.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.8 m -71.83 -27.01 62.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -78.81 117.62 20.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.9 m -59.67 149.39 71.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.05 177.45 5.77 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.59 2.193 . . . . 0.0 112.316 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -130.22 31.67 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.402 ' O ' ' CD2' ' A' ' 42' ' ' TYR . 15.6 p90 -149.13 87.6 5.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.429 ' HG3' ' CD2' ' A' ' 30' ' ' HIS . 54.2 Cg_exo -52.06 98.11 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.596 2.198 . . . . 0.0 112.317 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.509 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.3 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.835 0.35 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.2 p -70.8 99.26 1.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.93 109.48 21.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.36 -173.02 44.18 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.54 -25.54 10.94 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.657 2.238 . . . . 0.0 112.569 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.03 42.05 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.095 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.8 p -176.78 127.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.038 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.46 -164.39 1.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.765 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.81 95.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.197 0.522 . . . . 0.0 111.088 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.7 m 56.91 59.86 3.29 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.032 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -176.79 142.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.431 ' C ' HD12 ' A' ' 15' ' ' LEU . 4.6 pp -105.16 165.44 11.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.494 ' HD3' HG21 ' A' ' 20' ' ' THR . 23.7 mttm -83.43 154.15 65.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.74 146.84 79.98 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.606 2.204 . . . . 0.0 112.371 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.627 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -60.19 115.92 3.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.011 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.42 19.01 6.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.653 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.494 HG21 ' HD3' ' A' ' 16' ' ' LYS . 4.5 m -100.65 166.11 11.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.34 . . . . 0.0 110.845 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.619 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -107.82 119.01 38.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.781 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.1 p -96.45 -40.57 9.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.008 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.49 48.22 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.034 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -68.46 71.81 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.459 HG22 ' H ' ' A' ' 26' ' ' SER . 1.3 m -100.61 171.07 7.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.459 ' H ' HG22 ' A' ' 25' ' ' THR . 3.4 m -78.04 -5.45 51.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.414 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -101.39 -36.36 4.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.837 0.351 . . . . 0.0 111.181 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.69 -175.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.9 p -154.3 155.91 36.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -109.86 -32.06 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.619 ' CE2' HG23 ' A' ' 21' ' ' THR . 37.8 m-85 60.37 167.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.847 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -127.3 140.84 51.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.451 HG23 ' HG3' ' A' ' 35' ' ' ARG . 3.9 t -106.27 23.31 14.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.627 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 57.65 26.69 57.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.584 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.451 ' HG3' HG23 ' A' ' 33' ' ' THR . 34.4 mtt180 -100.5 -33.04 10.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -172.2 170.27 5.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.3 t -71.86 -29.42 64.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -72.7 107.28 5.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -68.57 146.08 97.49 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.62 165.72 31.92 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.508 2.139 . . . . 0.0 112.307 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -107.64 66.66 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -160.85 87.3 1.74 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.0 155.58 64.8 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.536 2.157 . . . . 0.0 112.303 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.463 -179.993 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.829 0.347 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.25 158.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 p -129.8 141.97 50.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.8 -170.87 37.61 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.529 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.57 -41.47 3.23 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.879 2.386 . . . . 0.0 112.359 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.7 t -65.15 -24.69 67.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.367 -179.676 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.0 p -120.48 119.48 33.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.97 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -57.35 -76.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -132.91 6.28 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.48 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 177.45 -53.13 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.97 148.08 27.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.675 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.2 pp -107.03 151.6 25.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.675 ' O ' HD12 ' A' ' 15' ' ' LEU . 23.4 mttt -59.85 159.44 19.61 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.923 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.98 148.02 90.58 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.403 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.07 111.23 1.24 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.104 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.94 23.42 4.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.604 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -110.11 154.65 22.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.803 0.335 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.726 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -92.32 118.17 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.7 p -94.53 -40.55 9.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -103.38 125.28 49.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.08 35.19 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.468 HG22 ' H ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -60.2 172.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.54 ' O ' HG13 ' A' ' 27' ' ' VAL . 2.3 t -91.55 50.61 1.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 26' ' ' SER . 5.9 m -158.89 -44.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -164.89 131.43 2.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.7 p -108.69 152.16 25.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.485 ' O ' HG22 ' A' ' 21' ' ' THR . 10.0 m80 -130.54 172.63 11.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.726 ' CZ ' HG23 ' A' ' 21' ' ' THR . 53.5 m-85 -132.81 159.74 38.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.02 145.21 29.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.806 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.627 HG23 ' HB2' ' A' ' 35' ' ' ARG . 10.0 t -105.71 23.53 13.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.078 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.403 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 52.69 25.9 23.18 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.738 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.627 ' HB2' HG23 ' A' ' 33' ' ' THR . 3.6 mtp85 -100.15 -33.63 10.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.4 t -167.76 172.38 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.2 t -72.07 -30.98 65.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -67.08 109.64 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 97.7 m -67.04 149.22 98.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.58 176.61 7.16 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.574 2.182 . . . . 0.0 112.309 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 m -116.76 31.62 6.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -114.38 87.52 13.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.76 90.59 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.517 2.144 . . . . 0.0 112.325 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.466 -1.185 . . . . 0.0 112.474 -179.976 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.1 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.805 0.336 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.42 HG22 ' H ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -96.81 172.29 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.42 ' H ' HG22 ' A' ' 5' ' ' THR . 0.8 OUTLIER -117.6 96.02 5.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.15 162.49 28.61 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.84 60.7 3.68 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.593 2.195 . . . . 0.0 112.39 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 179.45 39.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.806 179.879 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.739 ' SG ' HD22 ' A' ' 15' ' ' LEU . 52.2 m -149.99 161.56 42.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -95.94 43.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.814 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 72.95 6.17 5.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.547 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -178.95 -39.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.862 0.363 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -84.92 170.08 13.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.739 HD22 ' SG ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -112.31 125.68 54.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -60.17 159.5 21.47 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -64.25 144.62 86.92 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.581 2.187 . . . . 0.0 112.295 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.76 162.69 3.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.087 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.84 24.03 57.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.607 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.3 m -112.34 114.56 27.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.843 0.354 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -59.76 168.34 1.77 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 p -140.37 -46.92 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -87.52 150.68 23.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -179.02 86.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.665 HG23 HG22 ' A' ' 27' ' ' VAL . 9.4 t -130.32 61.9 1.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.998 0.428 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.5 p 49.73 34.86 7.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.32 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.665 HG22 HG23 ' A' ' 25' ' ' THR . 5.7 m -140.38 -48.68 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.244 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.433 ' N ' HG23 ' A' ' 27' ' ' VAL . 0.3 OUTLIER 179.23 -173.28 0.18 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.958 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.59 149.13 35.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -109.97 107.89 17.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -72.08 111.42 7.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 83.7 m -70.38 141.79 52.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.756 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 t -94.69 17.56 13.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.234 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.71 26.34 10.52 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.739 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -104.41 -33.71 8.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.994 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.582 ' C ' HD11 ' A' ' 15' ' ' LEU . 3.8 p -153.75 172.5 17.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 75.3 m -72.14 -30.8 65.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -59.64 142.93 51.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.1 m -102.86 92.41 3.54 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.54 165.23 28.01 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.496 2.13 . . . . 0.0 112.285 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.5 m -85.15 57.23 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -117.24 71.25 6.14 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.05 178.84 4.34 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.592 2.194 . . . . 0.0 112.311 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.414 -1.215 . . . . 0.0 112.487 179.941 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.8 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 p -75.57 115.07 14.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.3 p -104.98 133.09 50.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.67 -163.98 36.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.51 -30.64 6.27 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.595 2.196 . . . . 0.0 112.581 -179.855 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.3 t -97.65 26.19 5.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.196 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.6 m -146.06 142.72 28.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.926 179.835 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.99 54.25 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.848 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 73.04 5.62 5.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.604 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.8 t -177.97 -58.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.798 0.333 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -82.84 135.27 35.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.6 pp -94.6 149.64 21.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.489 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -66.34 157.1 83.36 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.62 145.8 91.9 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.56 2.174 . . . . 0.0 112.351 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.813 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.34 121.74 12.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.153 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.9 23.71 9.08 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.598 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.4 m -126.65 148.62 49.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.455 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -59.57 163.54 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.8 p -154.68 -46.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -102.89 79.7 1.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -82.96 119.57 24.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.443 HG22 ' H ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -124.74 172.4 9.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.443 ' H ' HG22 ' A' ' 25' ' ' THR . 2.9 p -92.86 48.73 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.45 -38.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -161.61 128.57 3.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.5 p -118.1 142.11 47.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -100.35 176.98 5.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.455 ' CZ ' HG23 ' A' ' 21' ' ' THR . 11.3 m-85 -125.8 172.4 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.03 145.12 40.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.706 HG23 ' HB2' ' A' ' 35' ' ' ARG . 3.6 t -105.84 20.37 19.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.813 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 53.46 24.62 24.39 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.796 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.706 ' HB2' HG23 ' A' ' 33' ' ' THR . 31.5 mtt-85 -110.93 -33.8 6.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.29 171.03 21.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.835 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.9 -29.64 64.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.81 148.24 30.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.6 m -112.92 90.13 14.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -51.05 177.63 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.561 2.174 . . . . 0.0 112.353 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 p -97.05 39.68 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -106.84 79.14 0.63 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.8 -177.25 1.8 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.575 2.184 . . . . 0.0 112.302 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.367 -1.24 . . . . 0.0 112.454 179.988 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.9 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.607 HG22 ' HB2' ' A' ' 37' ' ' CYS . 15.0 m 63.44 133.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.76 154.65 20.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.41 168.07 17.3 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.53 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -55.61 -23.15 38.77 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.655 2.237 . . . . 0.0 112.47 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.8 t -97.48 30.6 2.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.048 -179.782 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.8 p -179.26 126.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.825 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 mtm180 -80.98 -76.27 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -112.76 -21.01 11.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.265 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -178.21 -36.95 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.815 0.341 . . . . 0.0 111.075 -179.857 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -78.54 97.94 5.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.962 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 pp -71.86 147.83 46.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -56.25 147.22 48.17 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.016 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.32 145.64 44.11 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.584 2.189 . . . . 0.0 112.311 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.32 103.26 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.012 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.94 30.5 2.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 m -120.49 152.48 37.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.536 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -63.67 166.51 6.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.7 p -157.49 -45.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.447 ' CZ2' ' CG2' ' A' ' 25' ' ' THR . 7.0 t90 -111.51 146.88 36.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.59 105.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.447 ' CG2' ' CZ2' ' A' ' 23' ' ' TRP . 75.0 p -102.68 74.03 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 78.07 -56.46 0.49 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 28' ' ' SER . 11.4 p -133.12 -44.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.204 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.473 ' N ' HG13 ' A' ' 27' ' ' VAL . 2.6 m -71.36 116.07 11.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 t -133.63 144.24 49.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.427 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 58.5 m170 -111.48 176.17 5.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.536 ' CZ ' HG23 ' A' ' 21' ' ' THR . 14.6 m-85 -130.09 156.26 44.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.3 t -100.25 142.95 31.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.806 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.634 HG23 ' HB2' ' A' ' 35' ' ' ARG . 9.0 t -103.36 21.32 16.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.157 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.36 26.62 14.58 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.724 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.634 ' HB2' HG23 ' A' ' 33' ' ' THR . 13.2 mtt85 -98.06 -33.4 11.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -165.95 173.13 10.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.607 ' HB2' HG22 ' A' ' 5' ' ' THR . 42.6 m -71.37 -30.46 66.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -74.76 94.2 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.61 154.36 56.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -69.03 143.67 55.21 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.541 2.16 . . . . 0.0 112.287 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.427 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 56.0 p -98.3 35.6 1.75 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -146.05 158.54 48.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.18 128.08 25.98 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.545 2.163 . . . . 0.0 112.351 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.513 -179.996 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.842 0.354 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.88 163.74 13.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.97 123.22 44.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.8 166.21 35.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.549 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.94 -23.54 21.61 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.578 2.186 . . . . 0.0 112.423 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.2 t -97.21 29.53 3.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.023 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.4 m -161.51 121.02 2.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.829 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -69.45 -80.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -127.9 -3.04 5.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.628 -179.912 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 178.61 -38.34 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -75.08 168.34 20.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.951 -179.918 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.704 HD11 ' C ' ' A' ' 36' ' ' SER . 4.4 tt -120.21 138.63 53.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.502 ' O ' HD23 ' A' ' 15' ' ' LEU . 18.3 mmtt -58.89 149.15 66.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -52.99 143.58 49.13 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.565 2.176 . . . . 0.0 112.342 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.14 105.82 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.069 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.31 29.02 2.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.567 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.9 m -116.62 152.4 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.329 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.649 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -76.26 129.7 37.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -119.7 -40.93 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -100.83 165.62 11.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.47 93.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 m -104.22 63.98 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t 77.83 -56.55 0.5 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.086 -179.912 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 28' ' ' SER . 12.3 p -123.48 -41.36 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.162 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 27' ' ' VAL . 5.2 t -76.1 108.74 9.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.37 79.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -61.23 152.26 29.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.649 ' CZ ' HG23 ' A' ' 21' ' ' THR . 30.6 m-85 -111.28 171.08 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.21 143.62 36.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.817 HG23 ' HB2' ' A' ' 35' ' ' ARG . 10.3 t -105.81 22.97 14.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.518 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . 53.4 30.15 40.27 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.643 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.817 ' HB2' HG23 ' A' ' 33' ' ' THR . 3.6 ttp180 -102.56 -35.4 8.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.341 . . . . 0.0 110.967 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.704 ' C ' HD11 ' A' ' 15' ' ' LEU . 2.8 m -166.3 172.31 11.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.949 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.6 m -72.13 -31.09 65.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -69.87 113.63 7.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.2 m -60.53 149.23 78.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.09 177.46 5.78 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.583 2.189 . . . . 0.0 112.3 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.9 p -126.63 32.25 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -158.62 87.22 2.31 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.16 126.7 21.1 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.501 2.134 . . . . 0.0 112.352 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.358 -1.246 . . . . 0.0 112.449 -179.936 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 67.7 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.848 0.356 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.2 p -101.67 118.41 36.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -90.61 156.82 17.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.41 162.46 10.91 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.26 -28.07 41.01 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.625 2.216 . . . . 0.0 112.246 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 t -101.97 34.3 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 m -150.71 146.49 26.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -93.0 49.06 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.818 179.849 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.46 5.47 4.98 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.532 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.1 t -177.14 -52.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.803 0.335 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -74.27 156.93 36.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.94 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.445 HD11 ' CA ' ' A' ' 36' ' ' SER . 1.2 tt -117.21 136.25 53.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.407 ' O ' HD23 ' A' ' 15' ' ' LEU . 28.3 mttm -64.87 154.2 86.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.64 144.25 71.48 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.569 2.179 . . . . 0.0 112.332 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.429 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -62.7 119.9 10.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.33 22.98 7.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.538 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.0 m -125.11 129.72 50.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.795 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -59.91 156.5 14.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.4 p -131.44 -44.3 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -70.64 -74.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.016 -179.82 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 tttt 45.13 92.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.339 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.6 p -127.75 56.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.14 0.495 . . . . 0.0 111.088 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.2 p 44.89 27.22 0.25 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.925 179.541 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 50.0 t -156.82 -67.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.989 0.423 . . . . 0.0 110.941 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -126.58 147.66 49.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.408 ' HB2' ' CG2' ' A' ' 21' ' ' THR . 0.9 OUTLIER -140.29 145.18 36.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.949 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.475 ' O ' HG22 ' A' ' 21' ' ' THR . 9.9 m170 -95.74 -169.44 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.801 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.448 ' CE2' HG23 ' A' ' 21' ' ' THR . 30.9 m-85 -145.03 132.49 20.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.77 133.57 33.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.819 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.8 p -94.92 18.91 11.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.429 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 50.48 26.72 10.41 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.751 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -115.18 -37.51 4.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.824 0.345 . . . . 0.0 111.012 -179.885 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.445 ' CA ' HD11 ' A' ' 15' ' ' LEU . 18.1 p -150.11 162.96 39.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.2 m -72.1 -28.13 63.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.949 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -61.4 126.11 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 86.4 m -86.99 148.48 45.46 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.81 142.39 43.2 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.614 2.209 . . . . 0.0 112.299 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.4 p -98.3 35.91 1.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.428 ' CD2' ' N ' ' A' ' 42' ' ' TYR . 2.4 p90 -156.25 84.9 3.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.98 160.12 50.8 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.596 2.197 . . . . 0.0 112.283 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.43 -1.205 . . . . 0.0 112.503 179.93 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.75 78.71 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.4 p -75.4 107.24 7.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.44 -164.98 11.76 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.63 -26.87 15.91 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.555 2.17 . . . . 0.0 112.473 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.1 29.49 3.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.075 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.2 m -145.17 115.14 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 14.5 ptm180 -59.31 -21.64 60.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.204 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 48.2 tt0 174.88 -29.05 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.326 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.0 t -162.55 -44.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -73.68 119.21 17.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.613 HD11 ' C ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -69.3 143.46 53.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.953 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -64.07 149.14 94.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.6 145.43 59.01 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.607 2.205 . . . . 0.0 112.277 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.404 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.78 107.41 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.025 179.86 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.68 26.36 3.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 21' ' ' THR . 26.2 m -104.16 163.32 12.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.312 . . . . 0.0 110.762 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.692 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -95.81 120.22 35.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.895 -179.85 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.1 p -106.08 -37.12 6.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.782 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -114.39 134.7 54.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -149.18 60.07 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.9 t -69.49 70.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 t 79.04 -56.37 0.44 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.107 -179.876 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 28' ' ' SER . 11.6 p -138.62 -41.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.405 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.436 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -61.33 150.76 34.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.976 -179.89 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.2 t -156.9 150.06 24.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -109.75 -30.87 7.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.042 -179.89 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.692 ' CE1' HG23 ' A' ' 21' ' ' THR . 40.6 m-85 60.79 172.37 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.817 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.6 m -129.87 142.78 50.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.708 HG23 ' HB2' ' A' ' 35' ' ' ARG . 10.3 t -108.6 26.65 10.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.404 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 56.08 32.12 59.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.613 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.708 ' HB2' HG23 ' A' ' 33' ' ' THR . 1.7 tpt180 -107.18 -33.13 7.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.958 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.613 ' C ' HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -174.88 173.12 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 -179.984 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.57 -30.57 66.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -69.47 109.76 4.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.2 m -69.36 142.97 92.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.72 142.87 72.28 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.506 2.137 . . . . 0.0 112.279 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -68.09 -33.03 73.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -59.33 109.72 2.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.13 100.73 0.76 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.407 2.071 . . . . 0.0 112.266 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.084 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.462 179.949 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.8 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.825 0.345 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.1 172.89 7.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.33 132.75 51.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.06 157.1 12.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.537 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.29 -27.84 32.21 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.586 2.191 . . . . 0.0 112.397 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.5 m -92.44 48.37 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.962 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -161.98 129.05 3.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.05 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -85.93 56.98 4.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.741 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.53 6.84 5.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.488 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -179.71 -68.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.797 0.332 . . . . 0.0 111.057 179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -76.96 138.73 39.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.007 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.617 HD12 ' HA2' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -81.41 152.97 27.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.945 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -69.77 157.44 89.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.69 144.75 52.15 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.617 2.212 . . . . 0.0 112.315 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.7 107.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.046 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.29 27.31 3.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -111.44 142.76 43.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.824 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -77.68 143.93 37.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.7 p -123.44 -42.7 2.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.402 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.4 OUTLIER -95.7 -69.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.951 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.2 tttp 61.01 34.87 19.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.417 ' CG2' HG12 ' A' ' 27' ' ' VAL . 9.3 m -80.56 154.27 27.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -59.8 -31.42 69.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.417 HG12 ' CG2' ' A' ' 25' ' ' THR . 11.2 p -76.72 -31.16 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 m -173.56 132.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.4 p -107.34 93.5 4.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.422 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 19.0 m170 -79.33 157.32 27.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.824 ' CZ ' HG23 ' A' ' 21' ' ' THR . 11.2 m-85 -127.53 172.41 10.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.1 m -108.73 126.3 52.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.786 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.7 p -96.09 22.26 7.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.133 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.617 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 52.23 25.94 19.9 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.696 179.862 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.51 -33.53 6.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.865 0.364 . . . . 0.0 110.949 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 m -155.59 164.43 38.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.8 m -72.3 -27.13 62.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -63.15 159.41 17.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 80.9 m -111.98 92.32 17.77 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -50.04 145.46 19.44 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.62 2.213 . . . . 0.0 112.384 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.422 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 26.0 p -59.68 -27.91 66.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 13.4 p90 -102.29 93.19 3.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.76 90.5 0.35 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.462 2.108 . . . . 0.0 112.273 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.519 179.972 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.801 0.334 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.9 m 61.22 115.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.6 160.39 15.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.36 177.91 28.21 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.19 -25.18 37.31 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.542 2.161 . . . . 0.0 112.35 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.0 t -98.58 31.72 2.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -160.63 108.15 1.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -80.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 -179.912 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.51 -19.94 7.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.503 -179.839 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.5 t -167.11 -42.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 111.085 -179.815 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -76.94 152.98 35.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.37 145.02 30.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -59.62 164.01 6.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.02 146.03 81.17 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.589 2.193 . . . . 0.0 112.351 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.52 152.53 17.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 64.82 26.71 71.34 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.2 m -123.39 157.4 33.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 110.802 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.64 143.74 44.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.7 p -119.71 -40.87 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.446 ' CH2' HG21 ' A' ' 25' ' ' THR . 15.9 t90 -95.28 -71.06 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.026 -179.916 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 tttm 58.31 101.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.859 HG22 ' O ' ' A' ' 28' ' ' SER . 7.6 t -134.12 64.11 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 78.05 -56.51 0.49 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.064 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 28' ' ' SER . 11.5 p -133.24 -44.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.192 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.859 ' O ' HG22 ' A' ' 25' ' ' THR . 0.8 OUTLIER -77.19 77.74 3.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.879 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.3 p -103.81 114.6 28.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -85.28 132.73 34.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -92.32 152.38 19.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.21 149.6 28.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.664 HG23 ' HB2' ' A' ' 35' ' ' ARG . 5.3 t -109.24 23.19 14.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.09 32.24 49.71 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.71 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.664 ' HB2' HG23 ' A' ' 33' ' ' THR . 19.1 mtt180 -114.96 -69.21 0.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.996 0.427 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.1 p -120.26 162.65 19.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.2 m -71.94 -28.4 63.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -82.0 99.44 9.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.8 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.9 m -58.75 148.86 66.42 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.18 177.64 6.33 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.568 2.178 . . . . 0.0 112.316 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 m -98.77 32.1 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -133.83 87.59 35.2 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.86 97.26 0.64 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.575 2.184 . . . . 0.0 112.305 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.412 -1.216 . . . . 0.0 112.52 -179.996 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.813 0.339 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.472 HG22 ' H ' ' A' ' 6' ' ' THR . 1.2 m 59.24 171.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.472 ' H ' HG22 ' A' ' 5' ' ' THR . 67.9 p -134.59 150.36 50.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.99 157.09 8.25 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.39 -28.17 34.26 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.601 2.201 . . . . 0.0 112.31 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.8 t -63.23 -46.09 88.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.4 p -102.42 149.45 24.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -74.31 -77.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -133.97 6.72 3.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.481 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 177.81 -38.21 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.874 0.369 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -93.89 140.94 29.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.6 pp -105.14 148.3 27.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.486 ' O ' HD12 ' A' ' 15' ' ' LEU . 12.3 mttm -59.9 153.67 52.96 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.7 144.37 43.23 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.59 2.193 . . . . 0.0 112.297 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.665 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.48 106.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.05 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.93 27.92 3.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.434 HG22 ' N ' ' A' ' 21' ' ' THR . 58.5 m -121.14 162.05 20.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.846 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.434 ' N ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER -78.97 145.25 34.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.8 p -119.26 -41.13 2.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.574 ' CE2' HG21 ' A' ' 25' ' ' THR . 4.6 t90 -93.71 -65.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 tttt 60.76 78.93 0.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.574 HG21 ' CE2' ' A' ' 23' ' ' TRP . 25.6 p -117.25 172.41 7.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.6 t -77.19 -30.65 54.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.02 -35.94 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -178.39 124.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.1 m -89.04 136.53 32.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.4 ' O ' HG22 ' A' ' 21' ' ' THR . 19.8 m170 -104.27 152.46 22.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -122.49 172.18 8.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.7 m -123.98 150.63 44.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.0 t -112.13 24.52 12.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.998 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.665 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 55.4 31.95 57.34 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.604 179.935 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -105.72 -66.57 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.978 0.418 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.3 t -128.53 171.35 12.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.4 m -75.08 -31.11 61.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -68.09 127.22 32.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.5 m -76.53 152.34 83.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.52 170.28 16.65 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.578 2.185 . . . . 0.0 112.342 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.8 m -108.92 -31.47 7.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 42.0 p90 -85.03 110.71 30.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.07 108.2 2.09 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.437 2.091 . . . . 0.0 112.295 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.449 -1.195 . . . . 0.0 112.524 -179.99 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 81.1 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.873 0.368 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.6 p -58.92 116.35 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.51 126.81 52.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.28 -175.31 44.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.48 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.25 -27.61 34.59 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.587 2.192 . . . . 0.0 112.247 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 m -84.39 -27.43 27.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.027 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.3 m -102.66 166.15 10.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.001 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -179.74 130.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.683 179.957 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 64.4 14.35 8.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.282 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.6 t 76.05 67.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.793 -179.815 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.27 107.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.793 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.45 129.73 43.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.006 -179.917 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -60.5 147.41 83.04 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.08 145.14 65.91 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.575 2.183 . . . . 0.0 112.321 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.16 112.31 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 179.886 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.78 18.48 6.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.654 -179.922 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.4 m -110.42 131.86 54.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.776 0.322 . . . . 0.0 110.815 179.919 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 10.8 t -55.93 159.9 3.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 -179.894 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.7 p -149.56 30.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.444 ' CH2' ' CG2' ' A' ' 25' ' ' THR . 0.2 OUTLIER -176.52 172.3 2.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 -179.961 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.3 pttt -176.05 70.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.444 ' CG2' ' CH2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -69.54 70.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.926 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m 78.28 -56.39 0.48 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.075 -179.884 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.64 -44.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.229 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.09 150.0 35.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.962 -179.922 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.2 p -147.5 -179.58 6.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.965 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.403 ' CE1' ' O ' ' A' ' 40' ' ' PRO . 5.2 m-70 -131.63 133.94 45.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 3.2 m-85 -91.27 122.6 34.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.009 -179.935 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -76.29 140.16 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 179.868 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.2 p -95.74 18.2 13.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.185 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.64 31.85 23.44 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.734 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -108.31 -67.26 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.985 0.422 . . . . 0.0 111.009 -179.946 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -125.07 170.83 10.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -32.19 66.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -68.89 111.44 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 91.2 m -62.93 155.37 72.39 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.403 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 45.5 Cg_endo -68.45 175.73 6.59 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.541 2.161 . . . . 0.0 112.244 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 m -109.68 35.07 3.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -147.03 147.78 30.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.66 106.24 1.93 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.537 2.158 . . . . 0.0 112.357 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.5 -179.98 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 59.7 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.795 0.331 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.6 m 64.74 160.6 0.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.73 141.85 47.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.2 164.26 15.75 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.465 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.82 63.47 0.58 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.881 2.387 . . . . 0.0 112.351 -179.86 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.8 t -176.86 36.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.4 p -177.57 133.53 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.812 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -59.77 -77.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -134.49 6.22 3.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.498 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 175.11 -38.58 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.876 0.369 . . . . 0.0 110.743 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.88 135.76 40.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.978 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.816 HD12 ' HA2' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -78.87 134.28 36.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.937 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -59.89 157.32 30.65 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.89 143.4 72.01 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.572 2.181 . . . . 0.0 112.359 -179.937 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.54 103.6 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.006 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.31 32.05 1.43 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.0 m -107.72 141.86 38.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 110.72 179.88 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.0 132.26 45.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.002 -179.918 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 p -121.33 -42.63 2.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -97.14 129.3 44.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -135.77 43.61 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.458 HG22 ' H ' ' A' ' 26' ' ' SER . 0.6 OUTLIER -59.15 172.71 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.458 ' H ' HG22 ' A' ' 25' ' ' THR . 3.7 m -84.98 57.31 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 28' ' ' SER . 12.3 p -171.44 -41.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.42 ' N ' HG13 ' A' ' 27' ' ' VAL . 73.5 m -165.55 161.55 18.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.7 p -131.49 130.8 42.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.404 ' N ' ' CD2' ' A' ' 30' ' ' HIS . 11.9 m170 -96.91 -174.22 2.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -131.71 172.42 12.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.09 157.16 18.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.1 p -111.72 17.09 20.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.196 179.935 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.816 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 49.93 33.93 21.89 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.755 179.936 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -116.05 -37.82 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.086 -179.87 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.0 p -135.64 155.88 49.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.5 m -71.75 -25.6 62.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -77.14 141.04 40.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.97 -179.893 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.0 t -83.28 134.98 44.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.783 179.875 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.74 161.67 45.24 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.448 2.098 . . . . 0.0 112.364 -179.933 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.4 t -118.31 38.42 3.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -113.42 89.97 16.21 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -51.62 125.92 18.17 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.554 2.169 . . . . 0.0 112.357 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.479 -179.979 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.872 0.368 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.437 HG22 ' N ' ' A' ' 6' ' ' THR . 31.0 m 59.14 162.51 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.437 ' N ' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER -134.48 117.55 16.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.98 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.47 -169.62 27.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.9 -26.04 27.3 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.549 2.166 . . . . 0.0 112.328 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.91 39.42 1.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 72.2 m -153.3 136.04 15.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -69.72 -28.26 65.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.996 179.934 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 167.13 -28.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.336 -179.944 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -137.29 -46.4 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.941 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.31 173.87 8.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.682 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -120.22 154.8 34.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.918 179.901 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -58.49 153.79 37.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.969 -179.916 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.39 149.08 92.13 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.566 2.178 . . . . 0.0 112.34 179.941 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.74 109.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.218 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.5 22.35 5.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.671 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 21' ' ' THR . 14.0 m -99.07 164.0 12.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.79 0.329 . . . . 0.0 110.953 179.939 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.958 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -107.34 137.84 44.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.968 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.3 p -135.93 -46.18 0.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -85.54 165.1 17.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -176.7 78.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.73 63.73 7.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m 77.79 -56.32 0.5 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.486 HG23 ' N ' ' A' ' 28' ' ' SER . 35.1 m -126.27 -44.24 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.177 -179.939 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.486 ' N ' HG23 ' A' ' 27' ' ' VAL . 1.6 t -77.02 121.21 23.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.949 -179.856 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.5 t -134.34 101.33 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -69.73 173.1 6.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.958 ' CE2' HG23 ' A' ' 21' ' ' THR . 7.2 m-85 -132.08 172.28 12.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 98.6 m -111.51 161.33 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.42 HG23 ' HB2' ' A' ' 35' ' ' ARG . 9.1 t -118.71 25.81 9.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.014 179.919 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.52 ' HA2' HD23 ' A' ' 15' ' ' LEU . . . 55.16 32.74 57.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.621 179.923 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.42 ' HB2' HG23 ' A' ' 33' ' ' THR . 2.2 mmt-85 -108.23 -32.8 7.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -169.69 173.29 6.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.2 m -71.2 -30.64 66.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.826 179.916 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.48 100.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 95.2 m -59.16 109.61 2.03 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -68.91 177.33 5.09 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.436 2.091 . . . . 0.0 112.315 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.2 m -102.16 41.93 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -114.57 87.51 14.34 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.2 -176.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.548 2.166 . . . . 0.0 112.315 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.517 -179.973 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.1 107.13 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.2 p -105.44 130.28 53.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.6 -160.18 25.25 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.83 -27.1 18.28 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.567 2.178 . . . . 0.0 112.425 -179.899 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 t -106.52 27.25 8.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.122 -179.938 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.7 m -143.21 128.01 18.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -60.48 -80.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -135.86 6.86 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.553 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.3 t -178.49 -44.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.82 0.343 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -92.76 165.93 12.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.891 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.59 166.7 10.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -70.15 153.44 95.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.34 147.11 37.94 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.607 2.205 . . . . 0.0 112.316 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.67 108.45 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.31 25.85 4.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.475 -179.911 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.4 m -121.67 133.03 54.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -59.04 172.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.955 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.9 p -145.7 -46.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.41 ' CE3' ' CG2' ' A' ' 25' ' ' THR . 0.7 OUTLIER -63.78 -69.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? 55.3 74.58 0.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.038 179.832 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 28' ' ' SER . 1.1 t -128.82 172.56 11.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.869 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 p -57.11 -21.35 31.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.429 -179.768 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.3 t -83.18 -53.55 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.921 0.391 . . . . 0.0 111.126 -179.874 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.412 ' H ' HG23 ' A' ' 25' ' ' THR . 30.4 t -179.05 -166.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.42 153.59 46.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.785 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -115.78 114.19 24.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -71.74 116.64 12.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 59.1 m -68.4 142.41 55.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.789 HG23 ' HB2' ' A' ' 35' ' ' ARG . 10.0 t -96.56 21.4 9.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.88 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.88 28.22 31.2 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.751 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.789 ' HB2' HG23 ' A' ' 33' ' ' THR . 1.0 OUTLIER -106.08 -34.11 7.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.779 0.323 . . . . 0.0 110.995 -179.895 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.9 p -171.55 173.11 4.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 -179.93 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -30.98 66.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.69 96.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.946 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.3 m -62.96 149.37 90.47 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.04 177.42 5.79 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.566 2.177 . . . . 0.0 112.352 179.93 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -109.95 31.67 5.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.414 ' CD2' ' N ' ' A' ' 42' ' ' TYR . 4.1 m-85 -118.47 82.81 19.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.21 137.79 54.86 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.551 2.167 . . . . 0.0 112.285 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.534 179.945 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.831 0.348 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.16 108.35 20.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.8 p -109.41 158.6 17.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.79 -178.23 19.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.49 -32.4 19.76 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.55 2.167 . . . . 0.0 112.316 179.931 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.1 t -98.82 31.45 2.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 96.8 m -152.61 146.04 24.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -102.68 71.77 1.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 68.2 -68.59 0.17 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.011 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.13 39.17 3.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -154.01 143.81 21.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.11 144.1 27.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -75.0 157.73 85.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.72 143.96 57.99 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.508 2.138 . . . . 0.0 112.319 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.42 162.19 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.049 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.3 23.28 57.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.528 -179.915 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.3 m -118.6 127.47 53.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 110.832 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 t -59.35 168.9 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.8 p -145.56 -46.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -88.37 156.5 19.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -151.22 80.36 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.84 64.06 8.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 78.01 -56.61 0.49 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.047 -179.915 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.02 -44.83 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.175 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.45 152.05 39.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -148.66 178.8 8.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -126.83 123.11 36.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -80.36 118.31 21.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.62 142.22 27.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.6 p -98.85 17.77 18.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.242 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.38 27.34 16.58 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.812 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -102.06 -33.45 9.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.763 0.316 . . . . 0.0 110.962 -179.949 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -152.79 167.46 28.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 69.3 m -71.65 -30.57 65.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -78.57 107.99 11.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.5 m -60.17 149.76 73.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.26 177.46 5.9 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.598 2.199 . . . . 0.0 112.327 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.0 m -103.72 32.37 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -109.45 86.95 4.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.9 95.03 0.55 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.581 2.187 . . . . 0.0 112.299 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.499 -179.992 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.799 0.333 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.17 161.42 13.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.81 139.29 53.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.5 -178.09 26.3 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.53 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 -29.97 23.43 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.599 2.199 . . . . 0.0 112.3 179.929 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.0 t -72.12 -30.42 65.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.9 m -100.7 153.47 19.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -90.92 51.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.812 179.937 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? 71.99 8.11 5.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.515 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.53 -63.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.774 0.321 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -91.86 145.88 24.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 -179.84 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.491 ' C ' HD12 ' A' ' 15' ' ' LEU . 4.7 pp -82.89 157.16 23.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -78.96 161.29 69.11 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.26 145.08 83.05 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.612 2.208 . . . . 0.0 112.355 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.729 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -61.83 112.36 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.09 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.16 25.9 4.25 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.582 179.943 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.3 m -129.47 144.8 51.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.715 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -59.89 172.62 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.947 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.3 p -157.72 -45.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.581 ' CZ2' HG21 ' A' ' 25' ' ' THR . 9.7 t90 -74.5 -68.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.65 107.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.969 179.914 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.581 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 18.0 p -133.38 63.71 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 77.63 -56.58 0.51 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.03 -179.922 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 28' ' ' SER . 29.8 m -132.59 -44.84 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.181 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.469 ' N ' HG23 ' A' ' 27' ' ' VAL . 1.5 t -83.13 134.32 35.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.5 p -152.71 152.93 32.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -108.78 133.77 52.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.715 ' CE1' HG23 ' A' ' 21' ' ' THR . 4.4 m-85 -93.73 126.73 39.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.78 141.07 49.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.514 HG23 ' HB2' ' A' ' 35' ' ' ARG . 3.5 t -96.26 21.54 8.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.729 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 51.79 26.56 17.93 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.759 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.514 ' HB2' HG23 ' A' ' 33' ' ' THR . 0.0 OUTLIER -109.08 -33.58 6.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.828 0.347 . . . . 0.0 110.962 -179.981 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.3 m -159.7 172.67 17.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.83 -29.43 64.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.17 142.23 52.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 71.7 m -104.12 90.23 2.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.22 175.08 7.16 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.536 2.157 . . . . 0.0 112.265 -179.971 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.5 p -85.24 57.24 4.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -122.65 73.05 42.36 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.48 -167.97 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.574 2.183 . . . . 0.0 112.291 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.533 -179.981 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.4 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.793 0.33 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.473 HG22 ' H ' ' A' ' 6' ' ' THR . 0.8 OUTLIER -66.57 172.59 4.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.996 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.473 ' H ' HG22 ' A' ' 5' ' ' THR . 0.8 OUTLIER -134.75 169.57 17.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.998 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.51 168.2 11.81 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.3 -54.7 4.77 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.538 2.159 . . . . 0.0 112.311 179.976 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.66 -28.27 67.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.29 123.19 20.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.3 ttm-85 -79.76 -21.6 44.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 179.943 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 167.6 -29.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.321 -179.906 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.2 t -151.1 -46.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.818 179.926 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.1 mtmm -90.66 168.36 11.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.465 HD13 ' N ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -97.45 139.77 32.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.974 179.979 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -58.88 165.92 2.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.72 146.57 84.21 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.577 2.185 . . . . 0.0 112.338 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.88 165.19 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.077 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.42 19.79 48.74 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.567 -179.95 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.8 m -109.36 122.11 46.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.8 0.333 . . . . 0.0 110.81 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.498 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -60.02 154.95 17.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.973 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.2 p -162.26 41.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 -179.929 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -176.59 160.45 2.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -162.33 117.83 1.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.679 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.36 77.63 1.76 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 -179.811 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 t 54.68 79.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.305 179.688 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.465 ' O ' HG12 ' A' ' 27' ' ' VAL . 4.4 t 71.61 30.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.077 179.777 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.41 169.51 15.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.779 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.6 p -177.12 137.57 0.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.416 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 5.2 m170 -113.11 133.51 54.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.783 179.922 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.498 ' CZ ' HG23 ' A' ' 21' ' ' THR . 78.9 m-85 -102.68 140.26 37.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.006 -179.866 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.9 m -81.38 156.36 25.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.791 179.904 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.822 HG23 ' HB2' ' A' ' 35' ' ' ARG . 4.5 t -108.5 21.23 17.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.079 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.65 27.63 27.72 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.674 179.891 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.822 ' HB2' HG23 ' A' ' 33' ' ' THR . 0.0 OUTLIER -102.4 -33.81 9.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.0 110.968 -179.958 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.465 ' N ' HD13 ' A' ' 15' ' ' LEU . 5.0 t -154.95 172.5 17.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 m -73.1 -30.24 63.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.6 156.63 32.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 88.4 m -105.27 87.97 2.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.0 172.37 12.02 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.578 2.185 . . . . 0.0 112.287 -179.973 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.416 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 0.8 OUTLIER -86.01 57.45 4.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.984 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -122.22 79.73 44.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.92 -169.0 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.555 2.17 . . . . 0.0 112.288 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.492 179.957 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.803 0.335 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.9 p -88.44 129.56 35.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.0 m -114.9 139.52 49.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.78 -169.49 31.21 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.7 -30.32 18.06 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.595 2.197 . . . . 0.0 112.372 179.977 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -98.98 29.84 3.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.499 ' SG ' HD22 ' A' ' 15' ' ' LEU . 31.5 m -147.52 141.32 25.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -90.35 51.99 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 179.898 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 73.19 6.2 5.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.499 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 54.1 t -178.91 -56.9 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.838 0.352 . . . . 0.0 110.951 179.959 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -69.08 167.44 16.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.033 -179.893 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.6 HD13 ' N ' ' A' ' 16' ' ' LYS . 0.6 OUTLIER -108.4 131.33 54.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.6 ' N ' HD13 ' A' ' 15' ' ' LEU . 25.6 mttp -59.42 148.7 72.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.31 144.98 92.55 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.607 2.204 . . . . 0.0 112.346 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.3 122.43 17.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.44 22.92 7.51 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.597 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.7 m -115.81 139.09 50.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.855 0.359 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.803 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -76.27 142.35 41.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.995 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.8 p -118.63 -40.78 2.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -94.03 109.82 21.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -108.26 35.16 3.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.2 172.5 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.4 m -95.99 61.55 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -176.59 -39.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.142 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -163.62 163.28 24.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.7 p -138.33 161.0 38.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.402 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.5 m-70 -134.02 149.04 51.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.803 ' CZ ' HG23 ' A' ' 21' ' ' THR . 9.4 m-85 -114.12 156.76 23.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 m -100.48 168.02 10.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.531 HG23 ' HG3' ' A' ' 35' ' ' ARG . 4.1 t -122.37 26.0 8.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.442 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 55.28 27.58 47.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.656 179.941 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.531 ' HG3' HG23 ' A' ' 33' ' ' THR . 7.4 mtp85 -107.54 -38.34 5.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 m -164.74 167.39 19.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -28.9 63.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -59.82 96.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 95.6 m -61.68 149.57 84.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.12 160.54 49.25 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.572 2.181 . . . . 0.0 112.302 179.966 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.9 p -108.18 33.56 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -136.05 86.41 26.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.76 112.9 3.2 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.551 2.167 . . . . 0.0 112.347 179.934 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.331 -1.26 . . . . 0.0 112.476 -179.996 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.7 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.826 0.346 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.0 m -86.91 112.41 21.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.8 138.81 52.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.72 162.86 29.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.577 179.976 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.25 -26.0 42.32 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.598 2.199 . . . . 0.0 112.428 179.939 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.1 t -102.64 35.93 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -160.05 104.83 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.032 -179.872 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.57 82.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.56 179.766 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 71.86 -65.36 0.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -131.74 -32.75 1.45 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.589 -179.81 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -79.07 129.95 34.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.846 0.355 . . . . 0.0 111.058 -179.69 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.436 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -94.36 151.47 19.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.874 179.939 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -66.58 155.94 87.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -57.31 144.59 90.71 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.584 2.189 . . . . 0.0 112.297 -179.932 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.82 107.89 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.007 179.876 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.1 26.54 3.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.587 -179.921 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.4 m -121.41 142.4 50.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.782 0.325 . . . . 0.0 110.807 179.919 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.747 HG23 ' CD1' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -81.73 139.13 35.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 -179.984 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 p -113.49 -36.8 4.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -103.71 -177.41 3.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -179.34 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.9 t -58.34 172.96 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.073 -179.988 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.5 t 64.03 16.85 10.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.287 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.551 ' O ' HG12 ' A' ' 27' ' ' VAL . 11.7 t 69.24 30.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.937 0.399 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.7 p -151.23 134.0 15.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.999 -179.935 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.13 84.14 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.925 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -59.63 151.32 25.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.747 ' CD1' HG23 ' A' ' 21' ' ' THR . 3.2 m-85 -102.31 172.51 6.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.16 125.75 44.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.949 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.548 HG23 ' HB2' ' A' ' 35' ' ' ARG . 10.2 t -97.24 20.34 11.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.881 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.01 27.16 21.19 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.69 179.901 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.548 ' HB2' HG23 ' A' ' 33' ' ' THR . 2.5 mmt85 -99.57 -34.57 10.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.34 . . . . 0.0 110.981 -179.861 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -139.95 159.59 41.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.5 m -72.16 -26.8 62.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.026 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -96.38 139.73 32.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 32.6 m -59.96 148.46 76.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.55 177.85 6.32 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.52 2.147 . . . . 0.0 112.33 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -106.27 36.62 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -137.95 151.51 70.32 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.89 -27.03 26.37 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.552 2.168 . . . . 0.0 112.366 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.343 -1.254 . . . . 0.0 112.504 179.986 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.797 0.332 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.08 137.14 43.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.4 p -108.59 143.64 37.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.12 -174.92 30.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.52 -34.55 15.12 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.608 2.206 . . . . 0.0 112.292 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 54.0 t -71.29 -31.45 67.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.2 m -91.85 118.7 30.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -60.04 -72.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -133.66 6.62 3.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.58 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 179.26 -62.06 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.798 0.333 . . . . 0.0 110.987 179.949 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -85.93 157.85 20.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.987 -179.856 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.619 HD12 ' HA2' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -82.58 152.65 25.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.987 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -67.09 160.77 68.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.66 145.46 38.6 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.562 2.175 . . . . 0.0 112.376 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.418 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.24 112.67 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.26 26.84 6.09 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.557 -179.973 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.2 m -111.28 164.88 12.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.832 0.349 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.736 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -81.65 154.95 25.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.978 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.8 p -157.21 -45.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.449 ' NE1' HG23 ' A' ' 25' ' ' THR . 19.2 t90 -108.4 106.7 16.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -119.28 88.2 2.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.449 HG23 ' NE1' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -95.43 159.3 15.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.996 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 p -60.3 -31.25 70.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.52 -33.39 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.3 p -176.85 -173.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -149.63 134.73 18.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -106.73 176.82 5.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.736 ' CE2' HG23 ' A' ' 21' ' ' THR . 31.3 m-85 -130.91 159.18 38.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 t -91.31 150.48 21.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.69 17.71 23.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.21 179.953 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.619 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 54.07 23.19 23.33 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.796 179.932 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -116.59 -33.21 4.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.717 0.294 . . . . 0.0 111.075 179.985 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -148.72 163.47 37.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.98 -28.65 63.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -74.41 108.91 7.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.9 m -59.73 110.53 2.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -52.09 171.78 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.461 2.107 . . . . 0.0 112.287 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -102.47 34.64 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -123.41 79.72 53.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.17 113.45 1.2 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.536 2.157 . . . . 0.0 112.311 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.505 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.827 0.346 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.86 174.19 10.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -98.42 35.36 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 52.7 m -97.75 -31.39 12.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.519 HG22 ' HB2' ' A' ' 37' ' ' CYS . 85.4 m 60.22 75.61 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.4 p -57.99 116.42 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.991 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.27 166.56 34.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.548 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.6 -26.29 28.78 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.621 2.214 . . . . 0.0 112.386 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.1 t -98.22 30.37 3.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.967 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 m -162.14 119.17 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.82 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.7 mtt85 -72.54 -76.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -109.63 -27.03 9.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -172.32 -40.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.8 154.45 40.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.796 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -104.99 140.51 38.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.962 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.0 152.11 14.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.054 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.71 144.69 42.03 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.589 2.193 . . . . 0.0 112.392 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.55 108.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.032 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.7 25.42 4.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.548 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 78.7 m -113.46 109.59 18.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 110.776 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.8 107.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.7 p -75.14 -42.82 55.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -114.37 123.77 50.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -122.54 79.42 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.51 166.78 10.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.17 -31.47 67.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 m -74.38 -33.04 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.92 -170.07 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.6 p -160.58 138.45 9.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -101.98 157.32 16.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -124.64 171.49 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 99.4 m -111.56 125.9 54.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.5 p -96.32 21.64 8.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.076 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.407 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 51.42 27.15 16.3 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.781 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.01 -68.11 0.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.954 0.407 . . . . 0.0 111.023 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.4 t -124.9 169.65 11.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.519 ' HB2' HG22 ' A' ' 5' ' ' THR . 10.1 m -79.13 -27.01 42.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -62.12 100.95 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.0 m -59.16 110.1 2.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.63 163.16 1.98 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.437 2.091 . . . . 0.0 112.289 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.6 p -104.16 32.87 3.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -115.45 83.74 11.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.21 -176.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.59 2.193 . . . . 0.0 112.312 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.36 -1.245 . . . . 0.0 112.514 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.827 0.346 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.7 ptm -152.23 92.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -176.83 -40.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 m -164.39 -43.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.4 m 61.3 155.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 p -130.78 172.02 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.17 -176.16 23.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.8 -27.71 21.18 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.532 2.155 . . . . 0.0 112.369 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.8 t -72.94 -47.12 48.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.9 p -103.08 135.24 45.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -59.74 -74.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -135.42 6.32 3.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.585 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.5 t -178.8 -50.22 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.797 0.332 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -84.75 136.48 33.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.957 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.419 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -98.77 150.96 21.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -60.06 162.9 8.92 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.06 145.96 90.28 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.627 2.218 . . . . 0.0 112.328 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.775 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.14 115.91 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.093 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.72 17.59 6.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.681 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.469 HG22 ' H ' ' A' ' 21' ' ' THR . 0.8 OUTLIER -111.02 172.39 6.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 110.916 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.476 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -90.85 161.19 15.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.0 p -142.65 -46.81 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -113.82 111.87 22.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -109.79 78.8 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.461 HG22 ' H ' ' A' ' 26' ' ' SER . 0.6 OUTLIER -85.9 172.46 10.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.461 ' H ' HG22 ' A' ' 25' ' ' THR . 1.4 t -92.45 49.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -178.49 -38.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 t -150.3 144.82 25.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -130.09 144.49 51.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -103.48 -177.93 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.476 ' CE2' HG23 ' A' ' 21' ' ' THR . 69.4 m-85 -143.74 165.1 28.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 88.9 m -101.88 130.02 48.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.633 HG23 ' HB2' ' A' ' 35' ' ' ARG . 5.7 t -95.2 18.36 12.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.775 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 52.4 27.1 24.2 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.71 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.633 ' HB2' HG23 ' A' ' 33' ' ' THR . 23.3 mmt85 -111.49 -33.94 6.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 0.0 110.958 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -171.44 172.98 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 38.0 m -71.74 -30.94 66.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -60.38 86.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.74 110.84 6.08 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.812 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.449 ' HG2' ' CE1' ' A' ' 42' ' ' TYR . 37.5 Cg_endo -66.18 176.32 4.03 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.37 2.047 . . . . 0.0 112.318 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 t -112.81 69.46 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.449 ' CE1' ' HG2' ' A' ' 40' ' ' PRO . 15.2 p90 -114.46 61.1 1.12 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.976 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.55 106.85 0.93 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.554 2.169 . . . . 0.0 112.257 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.423 -1.209 . . . . 0.0 112.514 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.883 0.373 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.0 ttt -166.79 -61.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -144.38 158.47 43.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.0 m -132.19 108.51 9.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.18 85.25 5.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.1 p -57.15 108.76 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.006 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.32 -166.89 16.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.429 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -82.31 48.71 2.89 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.765 2.31 . . . . 0.0 112.682 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER 178.96 36.56 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.827 0.346 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 m -163.24 118.69 1.72 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -125.08 128.84 49.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.688 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 63.42 16.08 9.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.175 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.5 t 78.53 61.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -152.79 110.66 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.775 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.622 HD11 ' C ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -55.54 120.5 7.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.6 ' HE3' HG21 ' A' ' 20' ' ' THR . 7.5 mttp -59.06 165.28 3.61 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.83 144.8 84.57 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.602 2.201 . . . . 0.0 112.345 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.18 111.15 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.978 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.69 24.27 4.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.583 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.6 HG21 ' HE3' ' A' ' 16' ' ' LYS . 8.0 m -97.92 129.84 44.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.835 0.35 . . . . 0.0 110.826 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.791 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -60.66 150.86 30.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.936 -179.868 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.0 p -141.0 -47.19 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.65 125.19 40.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -127.78 34.74 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.49 173.06 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.61 49.16 1.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -152.56 -45.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.166 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -175.53 122.52 0.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.2 m -84.77 159.21 20.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -128.33 -178.7 4.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.791 ' CE2' HG23 ' A' ' 21' ' ' THR . 23.3 m-85 -139.06 169.94 16.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 90.4 m -97.59 154.03 17.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.781 HG23 ' HB2' ' A' ' 35' ' ' ARG . 9.7 t -110.7 22.71 15.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.101 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.44 27.09 32.44 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.742 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.781 ' HB2' HG23 ' A' ' 33' ' ' THR . 4.1 tpt180 -106.07 -35.88 7.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.403 ' N ' HD11 ' A' ' 15' ' ' LEU . 22.6 t -157.86 168.81 26.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.5 m -73.84 -29.06 61.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.31 136.07 57.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.8 t -78.88 118.99 75.61 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -51.62 149.1 19.36 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.448 2.099 . . . . 0.0 112.338 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.0 t -98.65 30.86 3.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -148.72 148.37 27.69 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.97 99.51 0.88 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.522 2.148 . . . . 0.0 112.31 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.337 -1.257 . . . . 0.0 112.458 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.76 0.314 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 51.1 mtt -86.87 165.52 15.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -148.41 -60.06 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.1 m -158.18 -44.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.1 m 61.39 154.68 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.21 157.81 28.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.08 164.1 12.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.28 -27.27 30.0 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.524 2.15 . . . . 0.0 112.336 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.4 t -75.5 -49.33 19.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.6 p -100.18 122.75 43.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -75.77 -70.48 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -109.68 -28.2 8.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.4 t -176.38 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -77.45 105.85 8.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -76.43 149.32 36.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -59.12 150.28 63.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.82 148.3 37.88 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.48 108.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.095 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.6 23.69 5.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.523 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.2 m -123.28 137.75 54.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.775 0.322 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.5 t -54.36 147.37 13.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.8 p -122.98 -43.21 2.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.43 ' CZ2' HG21 ' A' ' 25' ' ' THR . 14.8 t90 -85.86 -69.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.4 tttm 61.36 105.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.43 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -143.32 172.48 12.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.6 t -64.79 -30.59 71.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.949 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.3 m -79.43 -36.82 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.211 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -179.9 -176.55 0.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -134.93 156.81 48.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.404 ' CE1' ' O ' ' A' ' 40' ' ' PRO . 23.2 m170 -118.56 117.6 29.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -81.63 114.37 20.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.0 t -64.41 147.81 51.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.4 p -94.31 12.82 25.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.308 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.24 26.66 21.78 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.839 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -129.23 -44.37 1.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.348 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.65 152.45 51.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.2 m -72.11 -23.53 61.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -62.78 97.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 71.9 m -63.3 147.41 95.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.404 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 51.7 Cg_exo -52.77 177.51 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.528 2.152 . . . . 0.0 112.302 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 m -111.48 -33.5 6.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -110.69 156.11 41.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.93 147.52 61.97 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.56 2.173 . . . . 0.0 112.314 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.451 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.817 0.342 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.3 ptp -131.43 33.03 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -140.39 79.29 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 m -108.36 -27.68 9.83 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 t 43.48 93.69 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.461 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 7' ' ' GLY . 2.0 m -106.98 168.65 9.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.415 ' H ' HG22 ' A' ' 6' ' ' THR . . . 161.01 -166.76 35.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.37 -39.98 79.71 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.589 2.192 . . . . 0.0 112.316 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.06 26.37 5.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.8 m -151.38 123.93 8.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.8 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -80.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.824 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -137.1 6.2 2.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.573 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.7 t -178.34 -43.58 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -88.8 159.42 17.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.407 HD23 ' H ' ' A' ' 15' ' ' LEU . 1.1 pt? -116.59 153.46 32.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -59.42 150.17 66.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.94 144.4 45.24 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.579 2.186 . . . . 0.0 112.334 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.738 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.83 107.07 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.058 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.89 27.13 3.59 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.529 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.5 m -118.26 157.01 27.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.99 138.78 38.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.8 p -115.88 -39.27 3.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.651 ' CH2' HG21 ' A' ' 25' ' ' THR . 0.9 OUTLIER -117.5 130.47 56.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -133.22 31.45 3.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.651 HG21 ' CH2' ' A' ' 23' ' ' TRP . 9.6 t -61.27 172.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.5 t -88.59 53.62 2.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -152.48 -45.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.185 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.2 p -176.0 115.39 0.13 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -73.57 150.23 41.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -118.42 -179.48 3.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -140.95 172.42 12.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.92 137.05 54.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.7 t -103.84 23.54 12.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.05 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.738 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 54.13 34.41 52.88 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.657 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -114.67 -69.08 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.966 0.412 . . . . 0.0 110.981 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -134.19 172.29 13.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.8 m -72.85 -32.73 65.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -59.32 100.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 77.0 m -61.41 148.58 85.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.75 177.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.504 2.136 . . . . 0.0 112.343 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.4 t -123.09 30.25 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.406 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 12.6 p90 -173.23 84.2 0.4 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.99 154.43 66.83 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.537 2.158 . . . . 0.0 112.315 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.49 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.807 0.337 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.4 tmm? -98.4 37.07 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.36 -49.71 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.1 m 60.63 110.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.65 172.09 6.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.72 156.79 19.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.8 167.84 12.82 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.84 59.16 5.0 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.659 2.239 . . . . 0.0 112.464 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -179.21 37.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.918 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.3 140.65 17.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.4 51.88 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 73.02 5.72 5.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.554 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -179.83 -54.8 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.822 0.344 . . . . 0.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -82.06 139.73 34.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.659 HD12 ' HA2' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -96.31 148.96 22.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -59.7 153.38 52.52 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.44 143.97 42.54 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.61 2.207 . . . . 0.0 112.302 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.54 108.62 1.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.93 26.78 3.71 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.0 m -103.86 167.68 9.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.785 0.326 . . . . 0.0 110.814 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.765 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -105.27 108.91 20.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.4 p -98.23 -31.46 12.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -123.45 124.5 43.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -135.49 38.17 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.6 m -60.36 156.07 16.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.7 -29.88 68.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -72.67 -32.51 41.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.2 p -176.58 170.84 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.9 p -140.55 113.99 8.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.405 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 9.2 m170 -96.15 -177.29 3.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.765 ' CZ ' HG23 ' A' ' 21' ' ' THR . 28.8 m-85 -140.67 172.16 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.59 127.72 54.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.5 p -97.01 22.81 7.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.659 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 52.91 29.65 35.12 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.707 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -112.12 -34.24 6.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.338 . . . . 0.0 111.002 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.3 m -145.52 172.98 12.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.1 m -96.43 10.61 37.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.266 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -119.34 124.51 46.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.834 0.349 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.3 m -59.73 110.42 2.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.09 157.69 5.93 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.428 2.086 . . . . 0.0 112.317 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 p -60.15 -32.92 71.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -101.96 149.73 36.79 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.12 -177.59 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.599 2.2 . . . . 0.0 112.312 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.487 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.829 0.347 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 70.3 mtp -155.4 31.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.53 141.25 29.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.1 m -85.51 -32.7 22.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.467 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER 60.3 172.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.467 ' H ' HG22 ' A' ' 5' ' ' THR . 0.9 OUTLIER -140.62 141.5 35.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.55 159.32 10.58 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.54 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.55 62.15 2.87 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.574 2.183 . . . . 0.0 112.346 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -177.19 37.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.2 p -170.53 155.52 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.6 51.77 2.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 72.04 6.52 5.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.576 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 t -176.61 -51.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -81.03 122.14 26.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.436 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -90.2 140.79 29.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -58.83 155.34 31.85 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.54 146.28 43.59 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.558 2.172 . . . . 0.0 112.342 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.6 108.11 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.33 23.48 4.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.56 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.5 m -112.16 113.88 26.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.366 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 t -58.2 166.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.047 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.5 p -135.55 -46.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -83.19 137.22 34.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -133.68 73.37 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.31 63.41 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 77.7 -56.52 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.024 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 28' ' ' SER . 11.4 p -135.22 -43.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.232 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.469 ' N ' HG13 ' A' ' 27' ' ' VAL . 58.8 m -60.01 146.59 42.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.55 144.77 10.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -106.87 108.99 20.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -73.42 116.55 14.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.6 m -74.13 147.51 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.806 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 65.1 p -99.5 18.13 18.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.179 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.16 32.28 12.87 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.768 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -112.08 -34.13 6.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.987 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -146.8 172.46 13.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.8 m -75.43 -30.63 60.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -58.42 158.91 6.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.4 m -114.09 88.21 14.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_exo -51.66 174.3 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.54 2.16 . . . . 0.0 112.333 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 m -98.13 36.45 1.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -106.91 80.07 0.74 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -26.96 27.15 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.544 2.163 . . . . 0.0 112.322 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.455 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.798 0.333 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.1 ttt -106.14 34.95 3.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -83.64 -64.22 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.8 m -158.92 -43.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.013 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 p 59.0 109.22 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.7 p -88.87 144.03 26.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.66 169.89 33.46 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.78 -27.66 53.68 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.601 2.201 . . . . 0.0 112.365 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.1 t -79.3 -30.38 42.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 m -100.69 136.8 39.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.03 -67.72 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -111.45 -27.33 8.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.8 t -175.08 -39.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.969 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.92 155.91 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.416 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -98.65 145.66 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.839 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -59.29 150.39 63.94 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.81 148.15 38.33 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.677 2.251 . . . . 0.0 112.411 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.27 115.11 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.94 21.1 8.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.427 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.3 m -114.23 132.57 56.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.826 0.345 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.492 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 1.6 t -59.11 133.54 56.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.6 p -102.53 -31.59 10.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.761 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -132.7 144.63 50.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -134.09 116.34 15.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.39 156.62 36.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.7 t -60.1 -33.18 71.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.7 m -82.19 -32.91 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.178 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -177.64 168.44 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.44 -178.71 4.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -119.46 179.95 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.791 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.492 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 5.7 m-85 -149.92 117.13 6.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.173 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.8 t -84.28 134.18 34.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.836 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.707 HG23 ' HB2' ' A' ' 35' ' ' ARG . 3.8 t -95.65 21.18 8.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.062 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.8 26.91 18.77 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.74 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.707 ' HB2' HG23 ' A' ' 33' ' ' THR . 8.2 mtm180 -104.63 -34.28 8.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.1 p -164.44 169.88 16.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.13 -30.11 64.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -65.22 111.6 3.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 74.6 m -67.23 153.52 94.53 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.41 177.39 6.09 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.542 2.161 . . . . 0.0 112.245 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.35 35.93 3.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -147.76 149.67 34.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.2 -27.01 28.39 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.593 2.195 . . . . 0.0 112.335 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.482 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.794 0.331 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.2 tpt -174.05 84.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.12 143.1 56.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 38.0 m -155.16 139.3 16.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -107.53 163.44 13.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.42 132.17 39.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.02 -171.75 42.49 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.55 -27.76 12.64 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.599 2.199 . . . . 0.0 112.362 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.8 t -81.19 -29.58 34.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.3 p -115.13 122.98 47.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -77.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -134.61 6.78 3.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.554 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.3 t -178.08 -52.67 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.817 0.342 . . . . 0.0 111.026 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -84.95 140.72 30.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.02 162.21 16.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -69.68 149.45 96.81 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.38 148.47 33.28 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.634 2.223 . . . . 0.0 112.336 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.91 118.48 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.76 16.26 17.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.601 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.7 m -113.49 112.24 23.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.863 0.363 . . . . 0.0 110.803 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 1.5 t -55.35 153.77 6.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.144 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.3 p -128.25 -44.05 1.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -97.1 161.99 13.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.813 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -178.19 133.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.553 HG22 ' HB3' ' A' ' 28' ' ' SER . 1.5 t -133.77 58.06 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.144 0.497 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.743 ' O ' HG13 ' A' ' 27' ' ' VAL . 3.9 m 54.69 23.06 4.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.787 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.743 HG13 ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -176.85 -49.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.924 0.392 . . . . 0.0 111.448 179.74 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.553 ' HB3' HG22 ' A' ' 25' ' ' THR . 7.2 t -88.73 175.71 7.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.04 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.52 144.43 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.816 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -115.16 114.93 25.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 3.8 m-85 -80.88 125.57 30.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.997 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 57.4 m -75.06 137.26 41.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 t -92.32 13.86 18.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.51 27.72 26.91 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.639 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.0 ttp85 -110.79 -34.49 6.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.77 0.319 . . . . 0.0 110.983 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 m -154.27 172.51 17.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.999 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.6 t -73.97 -28.33 61.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -57.04 149.93 18.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 94.8 m -113.74 88.71 14.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -51.42 177.67 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.557 2.171 . . . . 0.0 112.349 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.5 p -95.25 44.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -106.16 86.04 1.88 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -26.97 27.19 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.581 2.187 . . . . 0.0 112.288 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.497 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.87 0.366 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.2 mtp 60.5 31.71 20.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -137.28 -178.19 5.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.4 m -71.09 -33.7 70.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.504 HG22 ' HB3' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 59.58 97.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.48 120.95 26.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.72 -175.31 41.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.531 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.09 -28.1 24.09 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.564 2.176 . . . . 0.0 112.295 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 54.3 m -74.71 -31.99 62.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.8 m -100.12 127.33 46.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -72.96 -74.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -107.97 -28.41 9.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -169.14 -42.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.31 130.87 35.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.447 HD13 ' HA2' ' A' ' 34' ' ' GLY . 4.5 pp -67.05 165.53 15.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -81.08 159.46 68.13 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.8 145.13 94.69 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.588 2.192 . . . . 0.0 112.326 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.7 113.83 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.87 25.51 4.49 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.526 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.6 m -124.58 147.39 48.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.669 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -65.06 167.81 7.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.3 p -154.89 -44.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.025 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.517 ' CE3' HG22 ' A' ' 25' ' ' THR . 1.3 t90 -83.34 -69.23 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.936 0.398 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.9 tttt 55.4 85.96 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.064 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.517 HG22 ' CE3' ' A' ' 23' ' ' TRP . 8.0 t -143.46 121.31 11.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.39 31.51 20.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.579 ' O ' HG12 ' A' ' 27' ' ' VAL . 14.9 t 70.56 31.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.4 t -144.84 94.5 2.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.561 ' CB ' HG22 ' A' ' 21' ' ' THR . 3.3 p -96.96 174.48 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.423 ' CD2' ' CE3' ' A' ' 23' ' ' TRP . 14.1 m170 -106.89 -26.39 11.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.669 ' CZ ' HG23 ' A' ' 21' ' ' THR . 26.7 m-85 62.67 145.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.52 153.27 21.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.9 p -110.26 20.86 17.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.447 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . 52.17 25.73 18.9 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.746 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -112.05 -33.79 6.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.0 t -147.0 173.41 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.504 ' HB3' HG22 ' A' ' 5' ' ' THR . 2.3 t -96.04 10.81 36.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.213 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -115.55 107.1 14.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.812 0.339 . . . . 0.0 110.843 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.9 m -57.99 109.33 1.72 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.18 172.96 11.15 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.397 2.065 . . . . 0.0 112.326 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.7 t -85.38 57.31 4.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -141.15 87.3 10.8 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.9 -174.72 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.577 2.185 . . . . 0.0 112.311 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.521 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.853 0.358 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.3 ptm -137.73 80.5 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 4' ' ' CYS . 8.8 m-20 -144.77 164.32 31.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 3' ' ' ASP . 38.2 m 66.15 -66.87 0.16 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.25 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.468 HG22 ' HB2' ' A' ' 37' ' ' CYS . 98.0 m 63.33 144.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.676 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 p -105.2 157.58 17.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.06 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.44 160.7 10.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.388 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -51.36 -24.76 16.69 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.574 2.183 . . . . 0.0 112.478 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 t -80.46 -34.51 35.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.4 m -107.62 125.56 51.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.001 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -74.62 -71.49 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.806 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -112.8 -26.14 8.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.2 t -174.01 -40.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -58.36 172.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.506 HD22 ' HA2' ' A' ' 34' ' ' GLY . 0.8 OUTLIER -128.16 126.88 41.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.404 ' N ' HD23 ' A' ' 15' ' ' LEU . 28.5 mttm -57.98 162.45 5.43 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.965 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.52 146.18 73.19 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.568 2.179 . . . . 0.0 112.368 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.95 160.57 5.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.068 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.35 24.44 59.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.554 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.8 m -119.84 131.3 55.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.358 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 9.7 t -58.48 149.17 25.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.5 p -123.81 -41.46 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -77.71 -66.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.0 tttt 60.96 79.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.46 172.28 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.4 m -91.57 59.68 3.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.44 -38.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.69 122.87 1.02 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.6 p -97.21 157.94 15.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -125.09 120.22 30.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.763 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 2.7 m-85 -83.47 120.05 25.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.9 t -76.6 138.25 40.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.5 p -93.53 15.89 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.201 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.506 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . 50.44 26.19 9.58 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.771 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.9 -36.07 8.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.988 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.2 t -159.02 165.92 32.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.468 ' HB2' HG22 ' A' ' 5' ' ' THR . 8.0 m -71.92 -29.04 63.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -69.9 89.3 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 97.9 m -59.1 149.1 68.75 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.11 178.25 4.35 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.533 2.155 . . . . 0.0 112.241 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 m -101.05 -31.29 11.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 32.7 p90 -82.84 148.69 58.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.7 176.35 7.61 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.562 2.174 . . . . 0.0 112.286 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.523 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.874 0.369 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -175.88 -46.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -151.5 35.27 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -146.44 116.99 7.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 p -72.95 116.68 13.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.6 p -109.3 172.03 7.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.45 171.99 14.75 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.68 -27.85 35.18 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.558 2.172 . . . . 0.0 112.305 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.93 35.84 2.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.1 m -155.25 125.29 6.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -59.26 -31.58 69.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.969 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 165.75 -29.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.276 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 91.7 m -134.48 -45.89 0.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -86.28 169.87 12.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -128.75 144.98 51.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -59.67 153.85 49.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.72 147.74 86.13 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.579 2.186 . . . . 0.0 112.37 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.532 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -57.39 114.8 2.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.43 15.63 7.51 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.68 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.445 HG22 ' N ' ' A' ' 21' ' ' THR . 67.1 m -100.01 161.99 13.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 0.0 110.828 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.445 ' N ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER -99.32 118.45 36.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.2 p -102.29 -43.28 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -114.83 151.57 33.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -179.22 109.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.503 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.1 m -155.69 60.96 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.984 0.421 . . . . 0.0 111.009 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.9 m 45.95 30.0 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.47 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 25' ' ' THR . 8.7 m -117.61 -40.4 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.182 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.89 -37.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t 65.02 96.51 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -78.99 175.78 10.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -135.12 172.73 12.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.43 131.46 42.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.4 18.39 12.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.532 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 49.92 26.51 8.54 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.758 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -119.45 -40.44 2.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 111.071 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -148.83 168.68 22.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.01 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.9 m -74.96 -28.92 60.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -63.8 143.27 57.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.8 m -95.05 148.27 34.4 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.73 151.18 63.37 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.586 2.191 . . . . 0.0 112.295 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -63.27 -31.68 72.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -105.84 156.07 37.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.86 -27.09 26.41 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.561 2.174 . . . . 0.0 112.306 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.378 -1.235 . . . . 0.0 112.47 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.864 0.364 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 30.6 mtm -152.65 165.05 36.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.51 34.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.0 m -107.43 119.67 40.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.19 150.31 21.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.6 p -103.64 152.0 22.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.66 166.33 13.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.542 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.53 -21.57 31.33 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.66 2.24 . . . . 0.0 112.56 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.6 36.0 1.43 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.12 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 p -178.3 122.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.837 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -59.51 -80.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -136.52 7.7 3.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.582 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -178.47 -47.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -73.35 157.09 37.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.436 HD11 ' C ' ' A' ' 36' ' ' SER . 0.9 OUTLIER -119.63 136.25 54.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -56.94 148.97 46.84 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.28 144.3 39.8 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.588 2.192 . . . . 0.0 112.337 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.714 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -62.39 107.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.34 28.03 3.43 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.7 m -109.9 150.74 27.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.763 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -80.79 137.33 36.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.9 p -127.35 -45.25 1.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -94.64 147.76 22.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -169.08 92.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.57 ' O ' HG23 ' A' ' 25' ' ' THR . 10.0 t -96.43 74.12 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 78.06 -56.56 0.49 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.059 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 28' ' ' SER . 11.3 p -133.05 -44.77 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.173 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.525 ' HB3' HG22 ' A' ' 25' ' ' THR . 0.3 OUTLIER -69.74 115.53 9.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.876 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.3 p -128.69 143.72 51.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -108.16 -179.4 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.763 ' CZ ' HG23 ' A' ' 21' ' ' THR . 20.0 m-85 -139.96 171.64 13.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.7 m -117.03 152.54 34.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.518 HG23 ' HB2' ' A' ' 35' ' ' ARG . 10.1 t -111.82 20.72 16.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.97 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.714 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 51.19 32.6 29.05 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.645 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.518 ' HB2' HG23 ' A' ' 33' ' ' THR . 7.0 mtt180 -113.23 -35.3 5.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.758 0.313 . . . . 0.0 111.061 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.436 ' C ' HD11 ' A' ' 15' ' ' LEU . 27.4 t -152.8 172.51 16.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.046 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.7 m -72.26 -29.69 64.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -58.49 158.67 7.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.0 m -114.51 87.3 13.84 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.13 172.56 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.551 2.167 . . . . 0.0 112.271 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.7 m -97.75 40.1 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -106.79 81.79 0.95 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.89 -167.99 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.59 2.193 . . . . 0.0 112.287 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.506 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.848 0.356 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 25.0 mtt -134.88 177.2 7.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.32 -78.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.4 m 60.73 156.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.454 HG22 ' HB2' ' A' ' 37' ' ' CYS . 87.1 m -147.23 151.27 36.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.2 p -104.83 156.54 17.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.41 167.25 12.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.551 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.68 -25.06 48.88 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.641 2.227 . . . . 0.0 112.492 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.0 t -95.21 41.81 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.1 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.2 p 178.37 139.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 ttt85 -74.93 -79.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -134.66 7.11 3.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.499 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -179.78 -42.21 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.867 0.365 . . . . 0.0 110.773 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -90.51 138.22 31.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.8 152.19 19.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -58.81 151.94 51.07 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -55.52 149.65 46.84 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.63 2.22 . . . . 0.0 112.381 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.28 119.14 5.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.066 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.16 22.5 12.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.6 m -110.68 127.71 55.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.92 0.39 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -58.28 165.19 2.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.972 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 p -156.95 30.27 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.514 ' CH2' HG21 ' A' ' 25' ' ' THR . 2.0 t90 -144.28 -67.48 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? 56.77 76.24 0.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.041 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.514 HG21 ' CH2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -94.31 71.04 3.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 78.04 -56.53 0.49 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.033 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.479 HG13 ' N ' ' A' ' 28' ' ' SER . 11.4 p -133.7 -44.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.196 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.479 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -75.39 175.77 8.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.967 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.98 158.31 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.402 ' CD2' ' CE3' ' A' ' 23' ' ' TRP . 13.6 m170 -107.99 105.1 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -70.79 115.87 10.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.0 t -68.09 157.25 35.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.6 p -104.24 17.81 23.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.29 27.38 16.07 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.74 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -113.16 -68.83 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.984 0.421 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.57 164.02 13.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.454 ' HB2' HG22 ' A' ' 5' ' ' THR . 19.6 m -71.6 -29.08 64.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -67.84 120.41 14.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 81.4 m -71.89 147.37 91.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.96 131.75 18.73 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.542 2.161 . . . . 0.0 112.338 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.6 t -60.17 -31.5 70.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 32.7 p90 -93.83 151.35 39.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.87 130.26 18.9 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.615 2.21 . . . . 0.0 112.324 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.508 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.764 0.316 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -160.47 31.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.83 168.72 9.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.2 m -106.25 -30.63 9.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.425 HG23 ' HB2' ' A' ' 37' ' ' CYS . 3.2 t 43.1 73.58 0.14 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.51 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.8 m -64.55 131.93 48.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.11 179.34 44.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.526 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.26 -39.44 72.11 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.595 2.197 . . . . 0.0 112.286 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.53 40.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.47 131.11 25.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.81 56.45 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.806 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 74.58 3.87 4.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.555 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 170.9 -51.61 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.82 0.343 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -77.56 157.68 30.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.495 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -97.88 138.73 34.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.963 -179.885 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -61.33 159.73 28.73 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.878 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.73 144.52 84.14 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.558 2.172 . . . . 0.0 112.257 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 161.91 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.144 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.35 24.09 58.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.563 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.7 m -116.58 139.08 50.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.325 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.631 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -75.98 145.27 40.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.5 p -120.04 -41.06 2.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -80.02 -67.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 tttt 58.64 86.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.455 HG22 ' H ' ' A' ' 26' ' ' SER . 1.1 m -125.19 172.17 9.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.455 ' H ' HG22 ' A' ' 25' ' ' THR . 0.8 OUTLIER -89.75 52.93 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.46 -38.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.187 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.5 m -167.2 134.2 2.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.4 p -130.02 161.25 31.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -124.76 159.53 30.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.631 ' CZ ' HG23 ' A' ' 21' ' ' THR . 77.1 m-85 -120.49 161.53 21.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.49 157.04 17.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.7 p -107.93 15.22 24.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.208 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.36 48.16 54.83 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.706 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.416 ' C ' HD13 ' A' ' 15' ' ' LEU . 8.9 ttm-85 -157.23 -45.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.387 . . . . 0.0 111.02 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.07 172.41 6.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.425 ' HB2' HG23 ' A' ' 5' ' ' THR . 13.7 m -120.47 28.27 8.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -126.93 110.91 13.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.4 m -57.58 109.7 1.96 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -51.65 177.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.477 2.118 . . . . 0.0 112.288 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -99.62 32.33 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -161.34 148.86 12.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.56 -178.56 2.71 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.529 2.152 . . . . 0.0 112.327 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.488 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.818 0.342 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.37 34.17 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -105.92 100.35 9.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.8 m -80.06 111.76 16.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.69 HG23 ' SG ' ' A' ' 37' ' ' CYS . 2.2 t -91.95 137.76 32.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.86 157.17 16.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.91 -176.07 32.74 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.522 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.56 -26.07 20.29 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.594 2.196 . . . . 0.0 112.435 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.22 40.98 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.011 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 p -177.22 132.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -67.61 -80.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -136.85 7.87 2.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.601 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -175.84 -46.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.784 0.326 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -86.16 160.84 19.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.54 150.78 37.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -58.43 158.4 14.94 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.94 143.41 40.03 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.564 2.176 . . . . 0.0 112.362 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.702 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -60.23 116.58 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.84 27.72 7.76 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.53 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.404 HG22 ' N ' ' A' ' 21' ' ' THR . 7.1 m -109.84 165.05 12.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.92 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -85.24 150.98 24.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.8 p -143.87 -46.94 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.441 ' CH2' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -75.84 162.63 27.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.85 97.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.441 ' CG2' ' CH2' ' A' ' 23' ' ' TRP . 4.1 t -161.19 138.33 8.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 59.98 30.08 19.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.576 ' O ' HG12 ' A' ' 27' ' ' VAL . 14.3 t 70.22 30.61 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.955 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -138.03 145.41 41.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.8 m -142.82 172.67 12.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -128.33 173.93 9.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.92 ' CE1' HG23 ' A' ' 21' ' ' THR . 5.3 m-85 -125.75 142.61 51.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 55.8 m -92.09 166.2 12.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.462 HG23 ' HG3' ' A' ' 35' ' ' ARG . 10.2 t -119.64 26.1 9.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.973 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.702 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 55.93 32.44 59.34 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.613 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.462 ' HG3' HG23 ' A' ' 33' ' ' THR . 7.1 mtt180 -112.21 -68.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.983 0.421 . . . . 0.0 110.963 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 m -131.54 172.7 11.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.69 ' SG ' HG23 ' A' ' 5' ' ' THR . 67.7 m -71.98 -31.1 65.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.52 97.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.3 m -58.47 109.98 2.25 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.37 177.36 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.444 2.096 . . . . 0.0 112.309 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -99.09 36.05 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -115.49 82.78 10.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.17 95.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.595 2.197 . . . . 0.0 112.316 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.426 ' HA2' ' CG ' ' A' ' 31' ' ' TYR . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.352 -1.249 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.838 0.351 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.5 ttm -176.07 -40.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -90.45 160.73 15.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -93.26 138.16 31.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.553 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -93.25 112.11 23.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 t -143.0 157.26 44.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.82 -155.04 25.67 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.84 -26.72 26.93 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.599 2.199 . . . . 0.0 112.373 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 t -117.45 29.71 7.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.994 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.5 m -153.21 157.11 39.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.5 ttm-85 -126.89 101.78 6.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.789 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 65.68 -76.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.1 m -146.91 31.19 0.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -140.8 113.76 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.56 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.4 pp -79.05 152.03 31.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.56 ' O ' HD12 ' A' ' 15' ' ' LEU . 22.2 mttt -66.42 162.86 45.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -65.12 145.64 85.12 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.603 2.202 . . . . 0.0 112.367 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.42 113.67 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.055 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.2 22.98 5.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.568 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.55 HG21 ' HD3' ' A' ' 16' ' ' LYS . 11.4 m -96.97 164.37 12.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.665 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -108.67 108.04 18.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.883 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.4 p -94.03 -36.34 12.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.13 122.68 45.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -143.99 31.99 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.549 HG23 ' H ' ' A' ' 28' ' ' SER . 7.4 t -65.15 170.14 4.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 m -68.27 -26.75 65.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.044 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -72.78 -33.83 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.113 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.549 ' H ' HG23 ' A' ' 25' ' ' THR . 0.4 OUTLIER -178.09 -169.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.3 p -159.15 149.4 19.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -138.82 170.95 15.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.665 ' CZ ' HG23 ' A' ' 21' ' ' THR . 13.2 m-85 -131.74 172.1 12.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -114.96 151.39 34.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.8 p -104.93 20.86 18.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . 55.0 35.23 58.89 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.684 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.4 mmp_? -156.0 36.92 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.756 0.313 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.4 p -175.95 166.37 3.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.553 ' SG ' HG22 ' A' ' 5' ' ' THR . 93.8 m -118.85 27.42 8.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -147.66 132.34 17.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.9 m -65.07 148.23 97.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.17 177.47 5.83 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.572 2.181 . . . . 0.0 112.272 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.64 -31.44 12.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' A' ' 42' ' ' TYR . 40.9 p90 -91.05 110.07 39.67 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.92 -170.81 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.492 2.128 . . . . 0.0 112.296 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.396 -1.225 . . . . 0.0 112.484 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.843 0.354 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.0 tpt 60.6 83.45 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -74.92 95.37 2.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 76.7 m -152.11 110.19 3.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.429 HG22 ' N ' ' A' ' 6' ' ' THR . 96.2 m -95.97 162.17 13.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.743 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.429 ' N ' HG22 ' A' ' 5' ' ' THR . 0.2 OUTLIER -113.72 155.82 24.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.967 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.02 172.34 27.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.553 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -62.55 -30.0 78.97 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.638 2.225 . . . . 0.0 112.269 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.9 t -98.55 37.36 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.712 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.33 117.37 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.815 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -80.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -117.51 -19.48 9.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.396 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.2 t -169.59 -40.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.785 0.326 . . . . 0.0 111.023 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 pttt -78.12 139.37 39.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.571 HD12 ' HA2' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -99.53 148.21 24.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -57.38 161.83 5.16 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.986 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.04 145.33 33.92 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.595 2.197 . . . . 0.0 112.405 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.703 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -69.22 108.79 3.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.52 28.09 3.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.6 t -123.57 164.12 19.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.34 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.426 HG22 ' HB2' ' A' ' 29' ' ' SER . 0.0 OUTLIER -78.79 155.01 29.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.807 179.829 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.1 p -151.34 -46.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.538 ' CE2' HG23 ' A' ' 25' ' ' THR . 17.5 t90 -82.08 -80.6 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.022 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt 60.76 116.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.074 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.538 HG23 ' CE2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -113.23 56.84 0.68 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.213 0.53 . . . . 0.0 110.949 179.888 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m 55.29 21.77 4.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.693 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.489 HG13 ' N ' ' A' ' 28' ' ' SER . 14.7 p -179.48 -45.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.798 0.333 . . . . 0.0 111.495 179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.489 ' N ' HG13 ' A' ' 27' ' ' VAL . 48.0 t -121.21 127.84 51.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.426 ' HB2' HG22 ' A' ' 21' ' ' THR . 70.7 p -125.66 148.5 48.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -105.56 109.24 21.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.775 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -58.17 147.02 31.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -83.1 142.04 31.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 t -90.22 5.29 47.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.259 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.703 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 52.72 27.53 28.05 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.697 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.4 ttt85 -114.49 -36.16 4.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.797 0.332 . . . . 0.0 111.04 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m -133.04 170.33 15.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.975 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.3 m -72.16 -29.0 63.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -89.14 159.09 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.9 m -90.77 148.82 39.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.63 177.44 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.568 2.179 . . . . 0.0 112.273 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.2 t -118.51 31.48 6.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -158.89 150.56 16.95 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.93 91.6 0.53 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.609 2.206 . . . . 0.0 112.337 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.377 -1.235 . . . . 0.0 112.51 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.825 0.345 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 9.6 ttt -161.24 123.76 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -135.28 173.7 11.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.4 m -67.32 108.82 2.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.89 155.29 16.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.721 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.23 168.29 9.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.948 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.27 178.0 15.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.396 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -78.47 53.94 4.79 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.681 2.254 . . . . 0.0 112.548 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER 177.93 37.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.836 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 m -163.85 96.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.017 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -64.53 82.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.491 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 77.13 -59.9 0.47 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.1 t -140.16 -41.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.207 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -69.54 127.02 31.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.981 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.65 HD12 ' HA2' ' A' ' 34' ' ' GLY . 0.7 OUTLIER -89.0 150.35 22.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -61.77 154.08 68.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -62.55 146.34 95.43 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.593 2.195 . . . . 0.0 112.303 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.89 111.5 1.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.07 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.32 23.61 4.76 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.61 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 21' ' ' THR . 8.5 m -99.86 164.81 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 110.818 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.746 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -110.9 122.36 47.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.834 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.3 p -111.57 -44.88 3.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -92.67 156.63 16.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -176.69 79.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.9 p -90.7 71.82 6.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 77.95 -56.52 0.49 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.065 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 28' ' ' SER . 11.4 p -128.72 -43.77 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.47 ' N ' HG13 ' A' ' 27' ' ' VAL . 13.6 t -73.89 108.6 6.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.1 p -133.25 88.22 2.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.429 ' CD2' ' HG3' ' A' ' 43' ' ' PRO . 15.5 m170 -60.47 178.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.746 ' CZ ' HG23 ' A' ' 21' ' ' THR . 22.1 m-85 -138.31 161.81 35.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 67.3 m -99.25 134.89 41.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.7 p -97.08 23.47 7.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.085 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.65 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 53.88 26.93 35.21 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.647 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -104.9 -34.06 8.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 110.938 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -155.22 161.07 41.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.8 m -71.83 -27.01 62.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -78.81 117.62 20.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.9 m -59.67 149.39 71.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.05 177.45 5.77 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.59 2.193 . . . . 0.0 112.316 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -130.22 31.67 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.402 ' O ' ' CD2' ' A' ' 42' ' ' TYR . 15.6 p90 -149.13 87.6 5.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.429 ' HG3' ' CD2' ' A' ' 30' ' ' HIS . 54.2 Cg_exo -52.06 98.11 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.596 2.198 . . . . 0.0 112.317 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.509 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.4 ttp -107.08 92.83 4.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -138.6 150.04 45.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.3 m -103.9 -179.82 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.2 p -70.8 99.26 1.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.93 109.48 21.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.36 -173.02 44.18 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.54 -25.54 10.94 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.657 2.238 . . . . 0.0 112.569 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.03 42.05 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.095 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.8 p -176.78 127.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.038 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.46 -164.39 1.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.765 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.81 95.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.197 0.522 . . . . 0.0 111.088 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.7 m 56.91 59.86 3.29 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.032 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -176.79 142.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.431 ' C ' HD12 ' A' ' 15' ' ' LEU . 4.6 pp -105.16 165.44 11.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.494 ' HD3' HG21 ' A' ' 20' ' ' THR . 23.7 mttm -83.43 154.15 65.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.74 146.84 79.98 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.606 2.204 . . . . 0.0 112.371 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.627 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -60.19 115.92 3.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.011 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.42 19.01 6.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.653 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.494 HG21 ' HD3' ' A' ' 16' ' ' LYS . 4.5 m -100.65 166.11 11.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.34 . . . . 0.0 110.845 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.619 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -107.82 119.01 38.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.781 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.1 p -96.45 -40.57 9.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.008 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.49 48.22 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.034 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -68.46 71.81 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.459 HG22 ' H ' ' A' ' 26' ' ' SER . 1.3 m -100.61 171.07 7.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.459 ' H ' HG22 ' A' ' 25' ' ' THR . 3.4 m -78.04 -5.45 51.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.414 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -101.39 -36.36 4.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.837 0.351 . . . . 0.0 111.181 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.69 -175.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.9 p -154.3 155.91 36.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -109.86 -32.06 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.619 ' CE2' HG23 ' A' ' 21' ' ' THR . 37.8 m-85 60.37 167.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.847 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -127.3 140.84 51.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.451 HG23 ' HG3' ' A' ' 35' ' ' ARG . 3.9 t -106.27 23.31 14.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.627 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 57.65 26.69 57.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.584 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.451 ' HG3' HG23 ' A' ' 33' ' ' THR . 34.4 mtt180 -100.5 -33.04 10.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -172.2 170.27 5.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.3 t -71.86 -29.42 64.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -72.7 107.28 5.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -68.57 146.08 97.49 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.62 165.72 31.92 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.508 2.139 . . . . 0.0 112.307 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -107.64 66.66 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -160.85 87.3 1.74 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.0 155.58 64.8 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.536 2.157 . . . . 0.0 112.303 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.463 -179.993 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.893 0.377 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.8 tpp -106.27 -40.02 5.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.59 158.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.4 m -88.52 -33.6 17.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.25 158.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 p -129.8 141.97 50.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.8 -170.87 37.61 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.529 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.57 -41.47 3.23 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.879 2.386 . . . . 0.0 112.359 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.7 t -65.15 -24.69 67.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.367 -179.676 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.0 p -120.48 119.48 33.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.97 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -57.35 -76.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -132.91 6.28 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.48 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 177.45 -53.13 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.97 148.08 27.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.675 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.2 pp -107.03 151.6 25.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.675 ' O ' HD12 ' A' ' 15' ' ' LEU . 23.4 mttt -59.85 159.44 19.61 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.923 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.98 148.02 90.58 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.403 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.07 111.23 1.24 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.104 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.94 23.42 4.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.604 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -110.11 154.65 22.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.803 0.335 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.726 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -92.32 118.17 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.7 p -94.53 -40.55 9.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -103.38 125.28 49.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.08 35.19 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.468 HG22 ' H ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -60.2 172.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.54 ' O ' HG13 ' A' ' 27' ' ' VAL . 2.3 t -91.55 50.61 1.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 26' ' ' SER . 5.9 m -158.89 -44.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -164.89 131.43 2.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.7 p -108.69 152.16 25.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.485 ' O ' HG22 ' A' ' 21' ' ' THR . 10.0 m80 -130.54 172.63 11.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.726 ' CZ ' HG23 ' A' ' 21' ' ' THR . 53.5 m-85 -132.81 159.74 38.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.02 145.21 29.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.806 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.627 HG23 ' HB2' ' A' ' 35' ' ' ARG . 10.0 t -105.71 23.53 13.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.078 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.403 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 52.69 25.9 23.18 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.738 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.627 ' HB2' HG23 ' A' ' 33' ' ' THR . 3.6 mtp85 -100.15 -33.63 10.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.4 t -167.76 172.38 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.2 t -72.07 -30.98 65.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -67.08 109.64 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 97.7 m -67.04 149.22 98.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.58 176.61 7.16 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.574 2.182 . . . . 0.0 112.309 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 m -116.76 31.62 6.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -114.38 87.52 13.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.76 90.59 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.517 2.144 . . . . 0.0 112.325 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.466 -1.185 . . . . 0.0 112.474 -179.976 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.808 0.337 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.2 ptp -133.58 91.15 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 60.37 83.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.1 m -60.64 111.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.42 HG22 ' H ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -96.81 172.29 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.42 ' H ' HG22 ' A' ' 5' ' ' THR . 0.8 OUTLIER -117.6 96.02 5.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.15 162.49 28.61 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.84 60.7 3.68 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.593 2.195 . . . . 0.0 112.39 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 179.45 39.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.806 179.879 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.739 ' SG ' HD22 ' A' ' 15' ' ' LEU . 52.2 m -149.99 161.56 42.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -95.94 43.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.814 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 72.95 6.17 5.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.547 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -178.95 -39.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.862 0.363 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -84.92 170.08 13.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.739 HD22 ' SG ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -112.31 125.68 54.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -60.17 159.5 21.47 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -64.25 144.62 86.92 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.581 2.187 . . . . 0.0 112.295 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.76 162.69 3.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.087 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.84 24.03 57.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.607 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.3 m -112.34 114.56 27.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.843 0.354 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -59.76 168.34 1.77 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 p -140.37 -46.92 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -87.52 150.68 23.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -179.02 86.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.665 HG23 HG22 ' A' ' 27' ' ' VAL . 9.4 t -130.32 61.9 1.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.998 0.428 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.5 p 49.73 34.86 7.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.32 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.665 HG22 HG23 ' A' ' 25' ' ' THR . 5.7 m -140.38 -48.68 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.244 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.433 ' N ' HG23 ' A' ' 27' ' ' VAL . 0.3 OUTLIER 179.23 -173.28 0.18 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.958 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.59 149.13 35.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -109.97 107.89 17.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -72.08 111.42 7.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 83.7 m -70.38 141.79 52.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.756 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 t -94.69 17.56 13.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.234 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.71 26.34 10.52 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.739 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -104.41 -33.71 8.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.994 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.582 ' C ' HD11 ' A' ' 15' ' ' LEU . 3.8 p -153.75 172.5 17.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 75.3 m -72.14 -30.8 65.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -59.64 142.93 51.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.1 m -102.86 92.41 3.54 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.54 165.23 28.01 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.496 2.13 . . . . 0.0 112.285 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.5 m -85.15 57.23 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -117.24 71.25 6.14 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.05 178.84 4.34 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.592 2.194 . . . . 0.0 112.311 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.414 -1.215 . . . . 0.0 112.487 179.941 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.825 0.345 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -105.56 36.02 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 60.77 157.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.8 m -108.04 114.78 28.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 p -75.57 115.07 14.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.3 p -104.98 133.09 50.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.67 -163.98 36.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.51 -30.64 6.27 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.595 2.196 . . . . 0.0 112.581 -179.855 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.3 t -97.65 26.19 5.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.196 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.6 m -146.06 142.72 28.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.926 179.835 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.99 54.25 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.848 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 73.04 5.62 5.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.604 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.8 t -177.97 -58.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.798 0.333 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -82.84 135.27 35.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.6 pp -94.6 149.64 21.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.489 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -66.34 157.1 83.36 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.62 145.8 91.9 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.56 2.174 . . . . 0.0 112.351 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.813 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.34 121.74 12.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.153 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.9 23.71 9.08 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.598 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.4 m -126.65 148.62 49.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.455 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -59.57 163.54 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.8 p -154.68 -46.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -102.89 79.7 1.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -82.96 119.57 24.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.443 HG22 ' H ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -124.74 172.4 9.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.443 ' H ' HG22 ' A' ' 25' ' ' THR . 2.9 p -92.86 48.73 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.45 -38.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -161.61 128.57 3.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.5 p -118.1 142.11 47.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -100.35 176.98 5.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.455 ' CZ ' HG23 ' A' ' 21' ' ' THR . 11.3 m-85 -125.8 172.4 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.03 145.12 40.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.706 HG23 ' HB2' ' A' ' 35' ' ' ARG . 3.6 t -105.84 20.37 19.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.813 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 53.46 24.62 24.39 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.796 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.706 ' HB2' HG23 ' A' ' 33' ' ' THR . 31.5 mtt-85 -110.93 -33.8 6.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.29 171.03 21.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.835 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.9 -29.64 64.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.81 148.24 30.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.6 m -112.92 90.13 14.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -51.05 177.63 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.561 2.174 . . . . 0.0 112.353 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 p -97.05 39.68 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -106.84 79.14 0.63 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.8 -177.25 1.8 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.575 2.184 . . . . 0.0 112.302 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.367 -1.24 . . . . 0.0 112.454 179.988 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.846 0.355 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.5 tpt 60.47 79.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -98.36 132.12 44.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.9 m -97.44 -37.16 10.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.607 HG22 ' HB2' ' A' ' 37' ' ' CYS . 15.0 m 63.44 133.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.76 154.65 20.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.41 168.07 17.3 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.53 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -55.61 -23.15 38.77 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.655 2.237 . . . . 0.0 112.47 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.8 t -97.48 30.6 2.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.048 -179.782 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.8 p -179.26 126.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.825 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 mtm180 -80.98 -76.27 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -112.76 -21.01 11.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.265 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -178.21 -36.95 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.815 0.341 . . . . 0.0 111.075 -179.857 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -78.54 97.94 5.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.962 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 pp -71.86 147.83 46.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -56.25 147.22 48.17 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.016 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.32 145.64 44.11 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.584 2.189 . . . . 0.0 112.311 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.32 103.26 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.012 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.94 30.5 2.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 m -120.49 152.48 37.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.536 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -63.67 166.51 6.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.7 p -157.49 -45.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.447 ' CZ2' ' CG2' ' A' ' 25' ' ' THR . 7.0 t90 -111.51 146.88 36.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.59 105.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.447 ' CG2' ' CZ2' ' A' ' 23' ' ' TRP . 75.0 p -102.68 74.03 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 78.07 -56.46 0.49 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 28' ' ' SER . 11.4 p -133.12 -44.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.204 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.473 ' N ' HG13 ' A' ' 27' ' ' VAL . 2.6 m -71.36 116.07 11.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 t -133.63 144.24 49.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.427 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 58.5 m170 -111.48 176.17 5.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.536 ' CZ ' HG23 ' A' ' 21' ' ' THR . 14.6 m-85 -130.09 156.26 44.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.3 t -100.25 142.95 31.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.806 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.634 HG23 ' HB2' ' A' ' 35' ' ' ARG . 9.0 t -103.36 21.32 16.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.157 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.36 26.62 14.58 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.724 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.634 ' HB2' HG23 ' A' ' 33' ' ' THR . 13.2 mtt85 -98.06 -33.4 11.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -165.95 173.13 10.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.607 ' HB2' HG22 ' A' ' 5' ' ' THR . 42.6 m -71.37 -30.46 66.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -74.76 94.2 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.61 154.36 56.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -69.03 143.67 55.21 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.541 2.16 . . . . 0.0 112.287 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.427 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 56.0 p -98.3 35.6 1.75 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -146.05 158.54 48.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.18 128.08 25.98 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.545 2.163 . . . . 0.0 112.351 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.513 -179.996 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.828 0.347 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.5 tpt -152.17 -46.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.24 89.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.8 m 60.97 112.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.88 163.74 13.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.97 123.22 44.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.8 166.21 35.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.549 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.94 -23.54 21.61 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.578 2.186 . . . . 0.0 112.423 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.2 t -97.21 29.53 3.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.023 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.4 m -161.51 121.02 2.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.829 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -69.45 -80.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -127.9 -3.04 5.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.628 -179.912 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 178.61 -38.34 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -75.08 168.34 20.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.951 -179.918 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.704 HD11 ' C ' ' A' ' 36' ' ' SER . 4.4 tt -120.21 138.63 53.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.502 ' O ' HD23 ' A' ' 15' ' ' LEU . 18.3 mmtt -58.89 149.15 66.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -52.99 143.58 49.13 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.565 2.176 . . . . 0.0 112.342 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.14 105.82 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.069 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.31 29.02 2.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.567 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.9 m -116.62 152.4 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.329 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.649 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -76.26 129.7 37.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -119.7 -40.93 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -100.83 165.62 11.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.47 93.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 m -104.22 63.98 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t 77.83 -56.55 0.5 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.086 -179.912 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 28' ' ' SER . 12.3 p -123.48 -41.36 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.162 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 27' ' ' VAL . 5.2 t -76.1 108.74 9.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.37 79.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -61.23 152.26 29.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.649 ' CZ ' HG23 ' A' ' 21' ' ' THR . 30.6 m-85 -111.28 171.08 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.21 143.62 36.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.817 HG23 ' HB2' ' A' ' 35' ' ' ARG . 10.3 t -105.81 22.97 14.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.518 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . 53.4 30.15 40.27 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.643 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.817 ' HB2' HG23 ' A' ' 33' ' ' THR . 3.6 ttp180 -102.56 -35.4 8.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.341 . . . . 0.0 110.967 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.704 ' C ' HD11 ' A' ' 15' ' ' LEU . 2.8 m -166.3 172.31 11.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.949 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.6 m -72.13 -31.09 65.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -69.87 113.63 7.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.2 m -60.53 149.23 78.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.09 177.46 5.78 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.583 2.189 . . . . 0.0 112.3 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.9 p -126.63 32.25 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -158.62 87.22 2.31 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.16 126.7 21.1 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.501 2.134 . . . . 0.0 112.352 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.358 -1.246 . . . . 0.0 112.449 -179.936 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.832 0.349 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.0 mtt 60.4 -174.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -130.8 118.92 21.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 67.7 m -78.86 127.76 32.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.2 p -101.67 118.41 36.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -90.61 156.82 17.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.41 162.46 10.91 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.26 -28.07 41.01 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.625 2.216 . . . . 0.0 112.246 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 t -101.97 34.3 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 m -150.71 146.49 26.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -93.0 49.06 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.818 179.849 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.46 5.47 4.98 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.532 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.1 t -177.14 -52.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.803 0.335 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -74.27 156.93 36.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.94 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.445 HD11 ' CA ' ' A' ' 36' ' ' SER . 1.2 tt -117.21 136.25 53.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' O ' HD23 ' A' ' 15' ' ' LEU . 28.3 mttm -64.87 154.2 86.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.64 144.25 71.48 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.569 2.179 . . . . 0.0 112.332 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.429 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -62.7 119.9 10.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.33 22.98 7.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.538 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.0 m -125.11 129.72 50.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.795 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -59.91 156.5 14.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.4 p -131.44 -44.3 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -70.64 -74.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.016 -179.82 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 tttt 45.13 92.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.339 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.6 p -127.75 56.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.14 0.495 . . . . 0.0 111.088 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.2 p 44.89 27.22 0.25 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.925 179.541 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 50.0 t -156.82 -67.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.989 0.423 . . . . 0.0 110.941 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -126.58 147.66 49.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.408 ' HB2' ' CG2' ' A' ' 21' ' ' THR . 0.9 OUTLIER -140.29 145.18 36.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.949 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.475 ' O ' HG22 ' A' ' 21' ' ' THR . 9.9 m170 -95.74 -169.44 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.801 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.448 ' CE2' HG23 ' A' ' 21' ' ' THR . 30.9 m-85 -145.03 132.49 20.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.77 133.57 33.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.819 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.8 p -94.92 18.91 11.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.429 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 50.48 26.72 10.41 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.751 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -115.18 -37.51 4.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.824 0.345 . . . . 0.0 111.012 -179.885 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.445 ' CA ' HD11 ' A' ' 15' ' ' LEU . 18.1 p -150.11 162.96 39.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.2 m -72.1 -28.13 63.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.949 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -61.4 126.11 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 86.4 m -86.99 148.48 45.46 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.81 142.39 43.2 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.614 2.209 . . . . 0.0 112.299 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.4 p -98.3 35.91 1.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.428 ' CD2' ' N ' ' A' ' 42' ' ' TYR . 2.4 p90 -156.25 84.9 3.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.98 160.12 50.8 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.596 2.197 . . . . 0.0 112.283 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.43 -1.205 . . . . 0.0 112.503 179.93 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.784 0.326 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.9 mtt 61.07 155.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 t70 60.46 77.64 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.6 m -111.39 -33.92 6.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.75 78.71 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.4 p -75.4 107.24 7.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.44 -164.98 11.76 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.63 -26.87 15.91 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.555 2.17 . . . . 0.0 112.473 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.1 29.49 3.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.075 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.2 m -145.17 115.14 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 14.5 ptm180 -59.31 -21.64 60.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.204 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 48.2 tt0 174.88 -29.05 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.326 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.0 t -162.55 -44.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -73.68 119.21 17.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.613 HD11 ' C ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -69.3 143.46 53.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.953 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -64.07 149.14 94.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.6 145.43 59.01 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.607 2.205 . . . . 0.0 112.277 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.404 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.78 107.41 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.025 179.86 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.68 26.36 3.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 21' ' ' THR . 26.2 m -104.16 163.32 12.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.312 . . . . 0.0 110.762 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.692 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -95.81 120.22 35.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.895 -179.85 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.1 p -106.08 -37.12 6.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.782 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -114.39 134.7 54.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -149.18 60.07 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.9 t -69.49 70.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 t 79.04 -56.37 0.44 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.107 -179.876 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 28' ' ' SER . 11.6 p -138.62 -41.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.405 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.436 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -61.33 150.76 34.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.976 -179.89 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.2 t -156.9 150.06 24.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -109.75 -30.87 7.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.042 -179.89 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.692 ' CE1' HG23 ' A' ' 21' ' ' THR . 40.6 m-85 60.79 172.37 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.817 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.6 m -129.87 142.78 50.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.708 HG23 ' HB2' ' A' ' 35' ' ' ARG . 10.3 t -108.6 26.65 10.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.404 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 56.08 32.12 59.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.613 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.708 ' HB2' HG23 ' A' ' 33' ' ' THR . 1.7 tpt180 -107.18 -33.13 7.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.958 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.613 ' C ' HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -174.88 173.12 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 -179.984 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.57 -30.57 66.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -69.47 109.76 4.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.2 m -69.36 142.97 92.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.72 142.87 72.28 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.506 2.137 . . . . 0.0 112.279 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -68.09 -33.03 73.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -59.33 109.72 2.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.13 100.73 0.76 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.407 2.071 . . . . 0.0 112.266 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.084 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.462 179.949 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.826 0.346 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 27.1 mtt -77.08 159.96 29.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.99 85.53 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.8 m -73.75 112.76 10.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.1 172.89 7.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.33 132.75 51.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.06 157.1 12.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.537 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.29 -27.84 32.21 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.586 2.191 . . . . 0.0 112.397 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.5 m -92.44 48.37 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.962 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -161.98 129.05 3.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.05 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -85.93 56.98 4.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.741 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.53 6.84 5.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.488 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -179.71 -68.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.797 0.332 . . . . 0.0 111.057 179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -76.96 138.73 39.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.007 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.617 HD12 ' HA2' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -81.41 152.97 27.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.945 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -69.77 157.44 89.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.69 144.75 52.15 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.617 2.212 . . . . 0.0 112.315 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.7 107.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.046 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.29 27.31 3.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -111.44 142.76 43.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.824 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -77.68 143.93 37.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.7 p -123.44 -42.7 2.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.402 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.4 OUTLIER -95.7 -69.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.951 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.2 tttp 61.01 34.87 19.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.417 ' CG2' HG12 ' A' ' 27' ' ' VAL . 9.3 m -80.56 154.27 27.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -59.8 -31.42 69.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.417 HG12 ' CG2' ' A' ' 25' ' ' THR . 11.2 p -76.72 -31.16 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 m -173.56 132.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.4 p -107.34 93.5 4.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.422 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 19.0 m170 -79.33 157.32 27.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.824 ' CZ ' HG23 ' A' ' 21' ' ' THR . 11.2 m-85 -127.53 172.41 10.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.1 m -108.73 126.3 52.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.786 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.7 p -96.09 22.26 7.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.133 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.617 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 52.23 25.94 19.9 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.696 179.862 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.51 -33.53 6.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.865 0.364 . . . . 0.0 110.949 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 m -155.59 164.43 38.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.8 m -72.3 -27.13 62.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -63.15 159.41 17.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 80.9 m -111.98 92.32 17.77 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -50.04 145.46 19.44 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.62 2.213 . . . . 0.0 112.384 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.422 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 26.0 p -59.68 -27.91 66.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 13.4 p90 -102.29 93.19 3.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.76 90.5 0.35 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.462 2.108 . . . . 0.0 112.273 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.519 179.972 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.812 0.339 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.2 ptp -72.74 166.04 23.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.04 37.76 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.8 m -108.29 -36.03 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.9 m 61.22 115.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.6 160.39 15.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.36 177.91 28.21 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.19 -25.18 37.31 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.542 2.161 . . . . 0.0 112.35 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.0 t -98.58 31.72 2.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -160.63 108.15 1.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -80.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 -179.912 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.51 -19.94 7.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.503 -179.839 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.5 t -167.11 -42.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 111.085 -179.815 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -76.94 152.98 35.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.37 145.02 30.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -59.62 164.01 6.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.02 146.03 81.17 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.589 2.193 . . . . 0.0 112.351 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.52 152.53 17.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 64.82 26.71 71.34 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.2 m -123.39 157.4 33.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 110.802 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.64 143.74 44.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.7 p -119.71 -40.87 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.446 ' CH2' HG21 ' A' ' 25' ' ' THR . 15.9 t90 -95.28 -71.06 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.026 -179.916 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 tttm 58.31 101.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.859 HG22 ' O ' ' A' ' 28' ' ' SER . 7.6 t -134.12 64.11 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 78.05 -56.51 0.49 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.064 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 28' ' ' SER . 11.5 p -133.24 -44.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.192 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.859 ' O ' HG22 ' A' ' 25' ' ' THR . 0.8 OUTLIER -77.19 77.74 3.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.879 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.3 p -103.81 114.6 28.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -85.28 132.73 34.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -92.32 152.38 19.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.21 149.6 28.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.664 HG23 ' HB2' ' A' ' 35' ' ' ARG . 5.3 t -109.24 23.19 14.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.09 32.24 49.71 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.71 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.664 ' HB2' HG23 ' A' ' 33' ' ' THR . 19.1 mtt180 -114.96 -69.21 0.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.996 0.427 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.1 p -120.26 162.65 19.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.2 m -71.94 -28.4 63.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -82.0 99.44 9.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.8 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.9 m -58.75 148.86 66.42 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.18 177.64 6.33 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.568 2.178 . . . . 0.0 112.316 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 m -98.77 32.1 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -133.83 87.59 35.2 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.86 97.26 0.64 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.575 2.184 . . . . 0.0 112.305 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.412 -1.216 . . . . 0.0 112.52 -179.996 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.812 0.339 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 6.6 mtt -135.46 32.82 3.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -106.71 126.13 51.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.3 m -102.3 -34.01 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.472 HG22 ' H ' ' A' ' 6' ' ' THR . 1.2 m 59.24 171.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.472 ' H ' HG22 ' A' ' 5' ' ' THR . 67.9 p -134.59 150.36 50.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.99 157.09 8.25 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.39 -28.17 34.26 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.601 2.201 . . . . 0.0 112.31 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.8 t -63.23 -46.09 88.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.4 p -102.42 149.45 24.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -74.31 -77.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -133.97 6.72 3.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.481 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 177.81 -38.21 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.874 0.369 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -93.89 140.94 29.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.6 pp -105.14 148.3 27.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.486 ' O ' HD12 ' A' ' 15' ' ' LEU . 12.3 mttm -59.9 153.67 52.96 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.7 144.37 43.23 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.59 2.193 . . . . 0.0 112.297 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.665 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.48 106.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.05 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.93 27.92 3.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.434 HG22 ' N ' ' A' ' 21' ' ' THR . 58.5 m -121.14 162.05 20.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.846 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.434 ' N ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER -78.97 145.25 34.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.8 p -119.26 -41.13 2.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.574 ' CE2' HG21 ' A' ' 25' ' ' THR . 4.6 t90 -93.71 -65.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 tttt 60.76 78.93 0.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.574 HG21 ' CE2' ' A' ' 23' ' ' TRP . 25.6 p -117.25 172.41 7.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.6 t -77.19 -30.65 54.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.02 -35.94 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -178.39 124.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.1 m -89.04 136.53 32.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.4 ' O ' HG22 ' A' ' 21' ' ' THR . 19.8 m170 -104.27 152.46 22.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -122.49 172.18 8.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.7 m -123.98 150.63 44.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.0 t -112.13 24.52 12.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.998 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.665 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 55.4 31.95 57.34 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.604 179.935 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -105.72 -66.57 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.978 0.418 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.3 t -128.53 171.35 12.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.4 m -75.08 -31.11 61.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -68.09 127.22 32.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.5 m -76.53 152.34 83.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.52 170.28 16.65 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.578 2.185 . . . . 0.0 112.342 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.8 m -108.92 -31.47 7.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 42.0 p90 -85.03 110.71 30.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.07 108.2 2.09 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.437 2.091 . . . . 0.0 112.295 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.449 -1.195 . . . . 0.0 112.524 -179.99 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.814 0.34 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.6 tpt -156.64 162.11 39.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 t70 60.49 39.11 18.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 81.1 m -135.64 122.6 21.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.6 p -58.92 116.35 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.51 126.81 52.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.28 -175.31 44.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.48 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.25 -27.61 34.59 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.587 2.192 . . . . 0.0 112.247 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 m -84.39 -27.43 27.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.027 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.3 m -102.66 166.15 10.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.001 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -179.74 130.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.683 179.957 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 64.4 14.35 8.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.282 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.6 t 76.05 67.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.793 -179.815 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.27 107.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.793 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.45 129.73 43.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.006 -179.917 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -60.5 147.41 83.04 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.08 145.14 65.91 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.575 2.183 . . . . 0.0 112.321 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.16 112.31 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 179.886 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.78 18.48 6.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.654 -179.922 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.4 m -110.42 131.86 54.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.776 0.322 . . . . 0.0 110.815 179.919 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 10.8 t -55.93 159.9 3.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 -179.894 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.7 p -149.56 30.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.444 ' CH2' ' CG2' ' A' ' 25' ' ' THR . 0.2 OUTLIER -176.52 172.3 2.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 -179.961 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.3 pttt -176.05 70.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.444 ' CG2' ' CH2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -69.54 70.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.926 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m 78.28 -56.39 0.48 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.075 -179.884 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.64 -44.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.229 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.09 150.0 35.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.962 -179.922 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.2 p -147.5 -179.58 6.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.965 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.403 ' CE1' ' O ' ' A' ' 40' ' ' PRO . 5.2 m-70 -131.63 133.94 45.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 3.2 m-85 -91.27 122.6 34.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.009 -179.935 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -76.29 140.16 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 179.868 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.2 p -95.74 18.2 13.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.185 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.64 31.85 23.44 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.734 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -108.31 -67.26 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.985 0.422 . . . . 0.0 111.009 -179.946 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -125.07 170.83 10.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -32.19 66.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -68.89 111.44 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 91.2 m -62.93 155.37 72.39 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.403 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 45.5 Cg_endo -68.45 175.73 6.59 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.541 2.161 . . . . 0.0 112.244 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 m -109.68 35.07 3.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -147.03 147.78 30.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.66 106.24 1.93 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.537 2.158 . . . . 0.0 112.357 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.5 -179.98 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.81 0.338 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 12.6 ttm -133.5 -47.32 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.907 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -136.6 -47.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 59.7 m 62.76 -79.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.09 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.6 m 64.74 160.6 0.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.73 141.85 47.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.2 164.26 15.75 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.465 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.82 63.47 0.58 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.881 2.387 . . . . 0.0 112.351 -179.86 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.8 t -176.86 36.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.4 p -177.57 133.53 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.812 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -59.77 -77.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -134.49 6.22 3.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.498 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 175.11 -38.58 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.876 0.369 . . . . 0.0 110.743 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.88 135.76 40.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.978 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.816 HD12 ' HA2' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -78.87 134.28 36.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.937 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -59.89 157.32 30.65 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.89 143.4 72.01 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.572 2.181 . . . . 0.0 112.359 -179.937 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.54 103.6 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.006 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.31 32.05 1.43 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.0 m -107.72 141.86 38.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 110.72 179.88 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.0 132.26 45.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.002 -179.918 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 p -121.33 -42.63 2.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -97.14 129.3 44.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -135.77 43.61 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.458 HG22 ' H ' ' A' ' 26' ' ' SER . 0.6 OUTLIER -59.15 172.71 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.458 ' H ' HG22 ' A' ' 25' ' ' THR . 3.7 m -84.98 57.31 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 28' ' ' SER . 12.3 p -171.44 -41.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.42 ' N ' HG13 ' A' ' 27' ' ' VAL . 73.5 m -165.55 161.55 18.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.7 p -131.49 130.8 42.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.404 ' N ' ' CD2' ' A' ' 30' ' ' HIS . 11.9 m170 -96.91 -174.22 2.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -131.71 172.42 12.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.09 157.16 18.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.1 p -111.72 17.09 20.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.196 179.935 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.816 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 49.93 33.93 21.89 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.755 179.936 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -116.05 -37.82 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.086 -179.87 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.0 p -135.64 155.88 49.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.5 m -71.75 -25.6 62.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -77.14 141.04 40.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.97 -179.893 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.0 t -83.28 134.98 44.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.783 179.875 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.74 161.67 45.24 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.448 2.098 . . . . 0.0 112.364 -179.933 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.4 t -118.31 38.42 3.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -113.42 89.97 16.21 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -51.62 125.92 18.17 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.554 2.169 . . . . 0.0 112.357 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.479 -179.979 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.85 0.357 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.24 127.49 33.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.65 -42.44 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -165.14 -44.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.437 HG22 ' N ' ' A' ' 6' ' ' THR . 31.0 m 59.14 162.51 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.437 ' N ' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER -134.48 117.55 16.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.98 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.47 -169.62 27.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.9 -26.04 27.3 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.549 2.166 . . . . 0.0 112.328 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.91 39.42 1.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 72.2 m -153.3 136.04 15.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -69.72 -28.26 65.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.996 179.934 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 167.13 -28.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.336 -179.944 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -137.29 -46.4 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.941 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.31 173.87 8.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.682 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -120.22 154.8 34.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.918 179.901 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -58.49 153.79 37.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.969 -179.916 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.39 149.08 92.13 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.566 2.178 . . . . 0.0 112.34 179.941 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.74 109.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.218 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.5 22.35 5.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.671 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 21' ' ' THR . 14.0 m -99.07 164.0 12.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.79 0.329 . . . . 0.0 110.953 179.939 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.958 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -107.34 137.84 44.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.968 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.3 p -135.93 -46.18 0.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -85.54 165.1 17.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -176.7 78.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.73 63.73 7.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m 77.79 -56.32 0.5 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.486 HG23 ' N ' ' A' ' 28' ' ' SER . 35.1 m -126.27 -44.24 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.177 -179.939 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.486 ' N ' HG23 ' A' ' 27' ' ' VAL . 1.6 t -77.02 121.21 23.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.949 -179.856 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.5 t -134.34 101.33 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -69.73 173.1 6.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.958 ' CE2' HG23 ' A' ' 21' ' ' THR . 7.2 m-85 -132.08 172.28 12.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 98.6 m -111.51 161.33 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.42 HG23 ' HB2' ' A' ' 35' ' ' ARG . 9.1 t -118.71 25.81 9.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.014 179.919 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.52 ' HA2' HD23 ' A' ' 15' ' ' LEU . . . 55.16 32.74 57.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.621 179.923 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.42 ' HB2' HG23 ' A' ' 33' ' ' THR . 2.2 mmt-85 -108.23 -32.8 7.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -169.69 173.29 6.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.2 m -71.2 -30.64 66.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.826 179.916 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.48 100.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 95.2 m -59.16 109.61 2.03 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -68.91 177.33 5.09 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.436 2.091 . . . . 0.0 112.315 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.2 m -102.16 41.93 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -114.57 87.51 14.34 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.2 -176.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.548 2.166 . . . . 0.0 112.315 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.517 -179.973 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.799 0.333 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.6 mtt 60.56 -174.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -127.23 157.2 40.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.8 m -103.71 117.39 34.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.1 107.13 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.2 p -105.44 130.28 53.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.6 -160.18 25.25 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.83 -27.1 18.28 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.567 2.178 . . . . 0.0 112.425 -179.899 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 t -106.52 27.25 8.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.122 -179.938 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.7 m -143.21 128.01 18.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -60.48 -80.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -135.86 6.86 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.553 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.3 t -178.49 -44.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.82 0.343 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -92.76 165.93 12.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.891 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.59 166.7 10.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -70.15 153.44 95.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.34 147.11 37.94 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.607 2.205 . . . . 0.0 112.316 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.67 108.45 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.31 25.85 4.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.475 -179.911 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.4 m -121.67 133.03 54.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -59.04 172.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.955 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.9 p -145.7 -46.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.41 ' CE3' ' CG2' ' A' ' 25' ' ' THR . 0.7 OUTLIER -63.78 -69.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? 55.3 74.58 0.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.038 179.832 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 28' ' ' SER . 1.1 t -128.82 172.56 11.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.869 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 p -57.11 -21.35 31.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.429 -179.768 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.3 t -83.18 -53.55 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.921 0.391 . . . . 0.0 111.126 -179.874 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.412 ' H ' HG23 ' A' ' 25' ' ' THR . 30.4 t -179.05 -166.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.42 153.59 46.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.785 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -115.78 114.19 24.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -71.74 116.64 12.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 59.1 m -68.4 142.41 55.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.789 HG23 ' HB2' ' A' ' 35' ' ' ARG . 10.0 t -96.56 21.4 9.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.88 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.88 28.22 31.2 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.751 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.789 ' HB2' HG23 ' A' ' 33' ' ' THR . 1.0 OUTLIER -106.08 -34.11 7.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.779 0.323 . . . . 0.0 110.995 -179.895 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.9 p -171.55 173.11 4.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 -179.93 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -30.98 66.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.69 96.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.946 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.3 m -62.96 149.37 90.47 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.04 177.42 5.79 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.566 2.177 . . . . 0.0 112.352 179.93 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -109.95 31.67 5.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.414 ' CD2' ' N ' ' A' ' 42' ' ' TYR . 4.1 m-85 -118.47 82.81 19.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.21 137.79 54.86 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.551 2.167 . . . . 0.0 112.285 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.534 179.945 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.789 0.328 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 13.5 ttm 60.67 35.34 19.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -132.13 132.68 43.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.4 m -106.15 150.52 25.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.16 108.35 20.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.8 p -109.41 158.6 17.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.79 -178.23 19.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.49 -32.4 19.76 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.55 2.167 . . . . 0.0 112.316 179.931 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.1 t -98.82 31.45 2.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 96.8 m -152.61 146.04 24.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -102.68 71.77 1.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 68.2 -68.59 0.17 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.011 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.13 39.17 3.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -154.01 143.81 21.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.11 144.1 27.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -75.0 157.73 85.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.72 143.96 57.99 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.508 2.138 . . . . 0.0 112.319 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.42 162.19 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.049 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.3 23.28 57.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.528 -179.915 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.3 m -118.6 127.47 53.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 110.832 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 t -59.35 168.9 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.8 p -145.56 -46.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -88.37 156.5 19.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -151.22 80.36 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.84 64.06 8.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 78.01 -56.61 0.49 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.047 -179.915 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.02 -44.83 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.175 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.45 152.05 39.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -148.66 178.8 8.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -126.83 123.11 36.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -80.36 118.31 21.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.62 142.22 27.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.6 p -98.85 17.77 18.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.242 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.38 27.34 16.58 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.812 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -102.06 -33.45 9.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.763 0.316 . . . . 0.0 110.962 -179.949 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -152.79 167.46 28.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 69.3 m -71.65 -30.57 65.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -78.57 107.99 11.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.5 m -60.17 149.76 73.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.26 177.46 5.9 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.598 2.199 . . . . 0.0 112.327 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.0 m -103.72 32.37 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -109.45 86.95 4.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.9 95.03 0.55 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.581 2.187 . . . . 0.0 112.299 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.499 -179.992 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.766 0.317 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 17.7 ttm 60.59 109.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -137.89 142.95 40.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -130.7 143.65 50.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.17 161.42 13.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.81 139.29 53.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.5 -178.09 26.3 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.53 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 -29.97 23.43 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.599 2.199 . . . . 0.0 112.3 179.929 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.0 t -72.12 -30.42 65.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.9 m -100.7 153.47 19.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -90.92 51.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.812 179.937 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? 71.99 8.11 5.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.515 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.53 -63.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.774 0.321 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -91.86 145.88 24.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 -179.84 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.491 ' C ' HD12 ' A' ' 15' ' ' LEU . 4.7 pp -82.89 157.16 23.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -78.96 161.29 69.11 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.26 145.08 83.05 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.612 2.208 . . . . 0.0 112.355 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.729 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -61.83 112.36 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.09 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.16 25.9 4.25 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.582 179.943 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.3 m -129.47 144.8 51.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.715 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -59.89 172.62 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.947 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.3 p -157.72 -45.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.581 ' CZ2' HG21 ' A' ' 25' ' ' THR . 9.7 t90 -74.5 -68.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.65 107.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.969 179.914 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.581 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 18.0 p -133.38 63.71 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 77.63 -56.58 0.51 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.03 -179.922 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 28' ' ' SER . 29.8 m -132.59 -44.84 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.181 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.469 ' N ' HG23 ' A' ' 27' ' ' VAL . 1.5 t -83.13 134.32 35.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.5 p -152.71 152.93 32.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -108.78 133.77 52.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.715 ' CE1' HG23 ' A' ' 21' ' ' THR . 4.4 m-85 -93.73 126.73 39.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.78 141.07 49.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.514 HG23 ' HB2' ' A' ' 35' ' ' ARG . 3.5 t -96.26 21.54 8.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.729 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 51.79 26.56 17.93 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.759 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.514 ' HB2' HG23 ' A' ' 33' ' ' THR . 0.0 OUTLIER -109.08 -33.58 6.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.828 0.347 . . . . 0.0 110.962 -179.981 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.3 m -159.7 172.67 17.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.83 -29.43 64.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.17 142.23 52.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 71.7 m -104.12 90.23 2.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.22 175.08 7.16 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.536 2.157 . . . . 0.0 112.265 -179.971 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.5 p -85.24 57.24 4.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -122.65 73.05 42.36 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.48 -167.97 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.574 2.183 . . . . 0.0 112.291 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.533 -179.981 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.787 0.327 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.3 tpp -139.97 139.35 36.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -91.77 119.43 31.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.4 m -107.24 111.05 23.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.473 HG22 ' H ' ' A' ' 6' ' ' THR . 0.8 OUTLIER -66.57 172.59 4.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.996 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.473 ' H ' HG22 ' A' ' 5' ' ' THR . 0.8 OUTLIER -134.75 169.57 17.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.998 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.51 168.2 11.81 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.3 -54.7 4.77 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.538 2.159 . . . . 0.0 112.311 179.976 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.66 -28.27 67.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.29 123.19 20.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.3 ttm-85 -79.76 -21.6 44.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 179.943 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 167.6 -29.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.321 -179.906 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.2 t -151.1 -46.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.818 179.926 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.1 mtmm -90.66 168.36 11.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.465 HD13 ' N ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -97.45 139.77 32.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.974 179.979 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -58.88 165.92 2.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.72 146.57 84.21 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.577 2.185 . . . . 0.0 112.338 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.88 165.19 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.077 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.42 19.79 48.74 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.567 -179.95 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.8 m -109.36 122.11 46.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.8 0.333 . . . . 0.0 110.81 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.498 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -60.02 154.95 17.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.973 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.2 p -162.26 41.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 -179.929 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -176.59 160.45 2.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -162.33 117.83 1.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.679 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.36 77.63 1.76 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 -179.811 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 t 54.68 79.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.305 179.688 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.465 ' O ' HG12 ' A' ' 27' ' ' VAL . 4.4 t 71.61 30.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.077 179.777 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.41 169.51 15.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.779 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.6 p -177.12 137.57 0.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.416 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 5.2 m170 -113.11 133.51 54.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.783 179.922 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.498 ' CZ ' HG23 ' A' ' 21' ' ' THR . 78.9 m-85 -102.68 140.26 37.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.006 -179.866 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.9 m -81.38 156.36 25.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.791 179.904 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.822 HG23 ' HB2' ' A' ' 35' ' ' ARG . 4.5 t -108.5 21.23 17.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.079 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.65 27.63 27.72 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.674 179.891 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.822 ' HB2' HG23 ' A' ' 33' ' ' THR . 0.0 OUTLIER -102.4 -33.81 9.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.0 110.968 -179.958 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.465 ' N ' HD13 ' A' ' 15' ' ' LEU . 5.0 t -154.95 172.5 17.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 m -73.1 -30.24 63.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.6 156.63 32.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 88.4 m -105.27 87.97 2.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.0 172.37 12.02 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.578 2.185 . . . . 0.0 112.287 -179.973 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.416 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 0.8 OUTLIER -86.01 57.45 4.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.984 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -122.22 79.73 44.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.92 -169.0 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.555 2.17 . . . . 0.0 112.288 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.492 179.957 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.816 0.341 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.4 ttm -160.61 -62.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -65.41 136.49 56.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.6 m -67.13 124.72 23.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.9 p -88.44 129.56 35.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.0 m -114.9 139.52 49.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.78 -169.49 31.21 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.7 -30.32 18.06 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.595 2.197 . . . . 0.0 112.372 179.977 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -98.98 29.84 3.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.499 ' SG ' HD22 ' A' ' 15' ' ' LEU . 31.5 m -147.52 141.32 25.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -90.35 51.99 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 179.898 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 73.19 6.2 5.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.499 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 54.1 t -178.91 -56.9 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.838 0.352 . . . . 0.0 110.951 179.959 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -69.08 167.44 16.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.033 -179.893 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.6 HD13 ' N ' ' A' ' 16' ' ' LYS . 0.6 OUTLIER -108.4 131.33 54.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.6 ' N ' HD13 ' A' ' 15' ' ' LEU . 25.6 mttp -59.42 148.7 72.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.31 144.98 92.55 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.607 2.204 . . . . 0.0 112.346 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.3 122.43 17.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.44 22.92 7.51 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.597 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.7 m -115.81 139.09 50.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.855 0.359 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.803 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -76.27 142.35 41.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.995 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.8 p -118.63 -40.78 2.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -94.03 109.82 21.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -108.26 35.16 3.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.2 172.5 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.4 m -95.99 61.55 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -176.59 -39.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.142 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -163.62 163.28 24.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.7 p -138.33 161.0 38.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.402 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.5 m-70 -134.02 149.04 51.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.803 ' CZ ' HG23 ' A' ' 21' ' ' THR . 9.4 m-85 -114.12 156.76 23.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 m -100.48 168.02 10.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.531 HG23 ' HG3' ' A' ' 35' ' ' ARG . 4.1 t -122.37 26.0 8.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 55.28 27.58 47.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.656 179.941 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.531 ' HG3' HG23 ' A' ' 33' ' ' THR . 7.4 mtp85 -107.54 -38.34 5.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 m -164.74 167.39 19.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -28.9 63.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -59.82 96.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 95.6 m -61.68 149.57 84.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.12 160.54 49.25 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.572 2.181 . . . . 0.0 112.302 179.966 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.9 p -108.18 33.56 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -136.05 86.41 26.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.76 112.9 3.2 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.551 2.167 . . . . 0.0 112.347 179.934 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.331 -1.26 . . . . 0.0 112.476 -179.996 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.789 0.328 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.5 mtt -106.07 31.75 4.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -88.57 179.44 6.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.7 m -80.76 110.51 16.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.0 m -86.91 112.41 21.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.8 138.81 52.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.72 162.86 29.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.577 179.976 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.25 -26.0 42.32 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.598 2.199 . . . . 0.0 112.428 179.939 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.1 t -102.64 35.93 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -160.05 104.83 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.032 -179.872 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.57 82.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.56 179.766 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 71.86 -65.36 0.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -131.74 -32.75 1.45 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.589 -179.81 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -79.07 129.95 34.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.846 0.355 . . . . 0.0 111.058 -179.69 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.436 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -94.36 151.47 19.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.874 179.939 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -66.58 155.94 87.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -57.31 144.59 90.71 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.584 2.189 . . . . 0.0 112.297 -179.932 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.82 107.89 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.007 179.876 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.1 26.54 3.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.587 -179.921 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.4 m -121.41 142.4 50.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.782 0.325 . . . . 0.0 110.807 179.919 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.747 HG23 ' CD1' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -81.73 139.13 35.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 -179.984 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 p -113.49 -36.8 4.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -103.71 -177.41 3.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -179.34 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.9 t -58.34 172.96 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.073 -179.988 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.5 t 64.03 16.85 10.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.287 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.551 ' O ' HG12 ' A' ' 27' ' ' VAL . 11.7 t 69.24 30.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.937 0.399 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.7 p -151.23 134.0 15.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.999 -179.935 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.13 84.14 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.925 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -59.63 151.32 25.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.747 ' CD1' HG23 ' A' ' 21' ' ' THR . 3.2 m-85 -102.31 172.51 6.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.16 125.75 44.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.949 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.548 HG23 ' HB2' ' A' ' 35' ' ' ARG . 10.2 t -97.24 20.34 11.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.881 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.01 27.16 21.19 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.69 179.901 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.548 ' HB2' HG23 ' A' ' 33' ' ' THR . 2.5 mmt85 -99.57 -34.57 10.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.34 . . . . 0.0 110.981 -179.861 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -139.95 159.59 41.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.5 m -72.16 -26.8 62.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.026 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -96.38 139.73 32.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 32.6 m -59.96 148.46 76.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.55 177.85 6.32 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.52 2.147 . . . . 0.0 112.33 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -106.27 36.62 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -137.95 151.51 70.32 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.89 -27.03 26.37 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.552 2.168 . . . . 0.0 112.366 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.343 -1.254 . . . . 0.0 112.504 179.986 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.827 0.346 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.5 ptt? -138.97 137.04 36.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 179.971 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -106.87 -38.29 6.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.9 m 61.11 112.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.08 137.14 43.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.4 p -108.59 143.64 37.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.12 -174.92 30.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.52 -34.55 15.12 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.608 2.206 . . . . 0.0 112.292 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 54.0 t -71.29 -31.45 67.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.2 m -91.85 118.7 30.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -60.04 -72.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -133.66 6.62 3.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.58 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 179.26 -62.06 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.798 0.333 . . . . 0.0 110.987 179.949 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -85.93 157.85 20.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.987 -179.856 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.619 HD12 ' HA2' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -82.58 152.65 25.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.987 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -67.09 160.77 68.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.66 145.46 38.6 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.562 2.175 . . . . 0.0 112.376 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.418 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.24 112.67 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.26 26.84 6.09 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.557 -179.973 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.2 m -111.28 164.88 12.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.832 0.349 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.736 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -81.65 154.95 25.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.978 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.8 p -157.21 -45.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.449 ' NE1' HG23 ' A' ' 25' ' ' THR . 19.2 t90 -108.4 106.7 16.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -119.28 88.2 2.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.449 HG23 ' NE1' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -95.43 159.3 15.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.996 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 p -60.3 -31.25 70.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.52 -33.39 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.3 p -176.85 -173.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -149.63 134.73 18.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -106.73 176.82 5.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.736 ' CE2' HG23 ' A' ' 21' ' ' THR . 31.3 m-85 -130.91 159.18 38.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 t -91.31 150.48 21.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.69 17.71 23.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.21 179.953 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.619 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 54.07 23.19 23.33 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.796 179.932 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -116.59 -33.21 4.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.717 0.294 . . . . 0.0 111.075 179.985 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -148.72 163.47 37.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.98 -28.65 63.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -74.41 108.91 7.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.9 m -59.73 110.53 2.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -52.09 171.78 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.461 2.107 . . . . 0.0 112.287 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -102.47 34.64 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -123.41 79.72 53.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.17 113.45 1.2 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.536 2.157 . . . . 0.0 112.311 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.505 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 52.7 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.842 0.353 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.519 HG22 ' HB2' ' A' ' 37' ' ' CYS . 85.4 m 60.22 75.61 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.4 p -57.99 116.42 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.991 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.27 166.56 34.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.548 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.6 -26.29 28.78 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.621 2.214 . . . . 0.0 112.386 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.1 t -98.22 30.37 3.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.967 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 m -162.14 119.17 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.82 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.7 mtt85 -72.54 -76.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -109.63 -27.03 9.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -172.32 -40.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.8 154.45 40.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.796 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -104.99 140.51 38.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.962 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.0 152.11 14.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.054 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.71 144.69 42.03 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.589 2.193 . . . . 0.0 112.392 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.55 108.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.032 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.7 25.42 4.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.548 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 78.7 m -113.46 109.59 18.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 110.776 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.8 107.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.7 p -75.14 -42.82 55.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -114.37 123.77 50.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -122.54 79.42 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.51 166.78 10.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.17 -31.47 67.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 m -74.38 -33.04 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.92 -170.07 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.6 p -160.58 138.45 9.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -101.98 157.32 16.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -124.64 171.49 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 99.4 m -111.56 125.9 54.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.5 p -96.32 21.64 8.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.076 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.407 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 51.42 27.15 16.3 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.781 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.01 -68.11 0.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.954 0.407 . . . . 0.0 111.023 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.4 t -124.9 169.65 11.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.519 ' HB2' HG22 ' A' ' 5' ' ' THR . 10.1 m -79.13 -27.01 42.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -62.12 100.95 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.0 m -59.16 110.1 2.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.63 163.16 1.98 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.437 2.091 . . . . 0.0 112.289 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.6 p -104.16 32.87 3.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -115.45 83.74 11.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.21 -176.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.59 2.193 . . . . 0.0 112.312 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.36 -1.245 . . . . 0.0 112.514 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.886 0.374 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.4 m 61.3 155.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 p -130.78 172.02 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.17 -176.16 23.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.8 -27.71 21.18 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.532 2.155 . . . . 0.0 112.369 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.8 t -72.94 -47.12 48.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.9 p -103.08 135.24 45.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -59.74 -74.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -135.42 6.32 3.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.585 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.5 t -178.8 -50.22 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.797 0.332 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -84.75 136.48 33.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.957 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.419 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -98.77 150.96 21.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -60.06 162.9 8.92 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.06 145.96 90.28 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.627 2.218 . . . . 0.0 112.328 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.775 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.14 115.91 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.093 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.72 17.59 6.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.681 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.469 HG22 ' H ' ' A' ' 21' ' ' THR . 0.8 OUTLIER -111.02 172.39 6.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 110.916 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.476 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -90.85 161.19 15.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.0 p -142.65 -46.81 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -113.82 111.87 22.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -109.79 78.8 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.461 HG22 ' H ' ' A' ' 26' ' ' SER . 0.6 OUTLIER -85.9 172.46 10.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.461 ' H ' HG22 ' A' ' 25' ' ' THR . 1.4 t -92.45 49.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -178.49 -38.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 t -150.3 144.82 25.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -130.09 144.49 51.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -103.48 -177.93 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.476 ' CE2' HG23 ' A' ' 21' ' ' THR . 69.4 m-85 -143.74 165.1 28.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 88.9 m -101.88 130.02 48.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.633 HG23 ' HB2' ' A' ' 35' ' ' ARG . 5.7 t -95.2 18.36 12.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.775 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 52.4 27.1 24.2 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.71 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.633 ' HB2' HG23 ' A' ' 33' ' ' THR . 23.3 mmt85 -111.49 -33.94 6.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 0.0 110.958 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -171.44 172.98 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 38.0 m -71.74 -30.94 66.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -60.38 86.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.74 110.84 6.08 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.812 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.449 ' HG2' ' CE1' ' A' ' 42' ' ' TYR . 37.5 Cg_endo -66.18 176.32 4.03 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.37 2.047 . . . . 0.0 112.318 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 t -112.81 69.46 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.449 ' CE1' ' HG2' ' A' ' 40' ' ' PRO . 15.2 p90 -114.46 61.1 1.12 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.976 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.55 106.85 0.93 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.554 2.169 . . . . 0.0 112.257 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.423 -1.209 . . . . 0.0 112.514 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.0 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.838 0.351 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.18 85.25 5.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.1 p -57.15 108.76 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.006 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.32 -166.89 16.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.429 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -82.31 48.71 2.89 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.765 2.31 . . . . 0.0 112.682 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER 178.96 36.56 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.827 0.346 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 m -163.24 118.69 1.72 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -125.08 128.84 49.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.688 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 63.42 16.08 9.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.175 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.5 t 78.53 61.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -152.79 110.66 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.775 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.622 HD11 ' C ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -55.54 120.5 7.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.6 ' HE3' HG21 ' A' ' 20' ' ' THR . 7.5 mttp -59.06 165.28 3.61 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.83 144.8 84.57 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.602 2.201 . . . . 0.0 112.345 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.18 111.15 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.978 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.69 24.27 4.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.583 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.6 HG21 ' HE3' ' A' ' 16' ' ' LYS . 8.0 m -97.92 129.84 44.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.835 0.35 . . . . 0.0 110.826 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.791 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -60.66 150.86 30.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.936 -179.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.0 p -141.0 -47.19 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.65 125.19 40.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -127.78 34.74 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.49 173.06 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.61 49.16 1.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -152.56 -45.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.166 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -175.53 122.52 0.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.2 m -84.77 159.21 20.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -128.33 -178.7 4.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.791 ' CE2' HG23 ' A' ' 21' ' ' THR . 23.3 m-85 -139.06 169.94 16.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 90.4 m -97.59 154.03 17.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.781 HG23 ' HB2' ' A' ' 35' ' ' ARG . 9.7 t -110.7 22.71 15.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.101 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.44 27.09 32.44 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.742 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.781 ' HB2' HG23 ' A' ' 33' ' ' THR . 4.1 tpt180 -106.07 -35.88 7.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.403 ' N ' HD11 ' A' ' 15' ' ' LEU . 22.6 t -157.86 168.81 26.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.5 m -73.84 -29.06 61.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.31 136.07 57.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.8 t -78.88 118.99 75.61 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -51.62 149.1 19.36 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.448 2.099 . . . . 0.0 112.338 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.0 t -98.65 30.86 3.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -148.72 148.37 27.69 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.97 99.51 0.88 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.522 2.148 . . . . 0.0 112.31 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.337 -1.257 . . . . 0.0 112.458 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.1 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.884 0.373 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.1 m 61.39 154.68 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.21 157.81 28.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.08 164.1 12.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.28 -27.27 30.0 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.524 2.15 . . . . 0.0 112.336 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.4 t -75.5 -49.33 19.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.6 p -100.18 122.75 43.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -75.77 -70.48 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -109.68 -28.2 8.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.4 t -176.38 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -77.45 105.85 8.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -76.43 149.32 36.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -59.12 150.28 63.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.82 148.3 37.88 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.48 108.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.095 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.6 23.69 5.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.523 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.2 m -123.28 137.75 54.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.775 0.322 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.5 t -54.36 147.37 13.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.8 p -122.98 -43.21 2.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.43 ' CZ2' HG21 ' A' ' 25' ' ' THR . 14.8 t90 -85.86 -69.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.4 tttm 61.36 105.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.43 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -143.32 172.48 12.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.6 t -64.79 -30.59 71.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.949 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.3 m -79.43 -36.82 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.211 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -179.9 -176.55 0.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -134.93 156.81 48.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.404 ' CE1' ' O ' ' A' ' 40' ' ' PRO . 23.2 m170 -118.56 117.6 29.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -81.63 114.37 20.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.0 t -64.41 147.81 51.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.4 p -94.31 12.82 25.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.308 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.24 26.66 21.78 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.839 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -129.23 -44.37 1.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.348 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.65 152.45 51.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.2 m -72.11 -23.53 61.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -62.78 97.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 71.9 m -63.3 147.41 95.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.404 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 51.7 Cg_exo -52.77 177.51 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.528 2.152 . . . . 0.0 112.302 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 m -111.48 -33.5 6.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -110.69 156.11 41.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.93 147.52 61.97 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.56 2.173 . . . . 0.0 112.314 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.451 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.711 0.291 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 t 43.48 93.69 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.461 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 7' ' ' GLY . 2.0 m -106.98 168.65 9.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.415 ' H ' HG22 ' A' ' 6' ' ' THR . . . 161.01 -166.76 35.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.37 -39.98 79.71 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.589 2.192 . . . . 0.0 112.316 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.06 26.37 5.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.8 m -151.38 123.93 8.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.8 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -80.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.824 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -137.1 6.2 2.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.573 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.7 t -178.34 -43.58 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -88.8 159.42 17.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.407 HD23 ' H ' ' A' ' 15' ' ' LEU . 1.1 pt? -116.59 153.46 32.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -59.42 150.17 66.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.94 144.4 45.24 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.579 2.186 . . . . 0.0 112.334 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.738 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.83 107.07 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.058 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.89 27.13 3.59 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.529 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.5 m -118.26 157.01 27.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.99 138.78 38.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.8 p -115.88 -39.27 3.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.651 ' CH2' HG21 ' A' ' 25' ' ' THR . 0.9 OUTLIER -117.5 130.47 56.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -133.22 31.45 3.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.651 HG21 ' CH2' ' A' ' 23' ' ' TRP . 9.6 t -61.27 172.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.5 t -88.59 53.62 2.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -152.48 -45.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.185 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.2 p -176.0 115.39 0.13 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -73.57 150.23 41.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -118.42 -179.48 3.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -140.95 172.42 12.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.92 137.05 54.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.7 t -103.84 23.54 12.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.05 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.738 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 54.13 34.41 52.88 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.657 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -114.67 -69.08 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.966 0.412 . . . . 0.0 110.981 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -134.19 172.29 13.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.8 m -72.85 -32.73 65.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -59.32 100.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 77.0 m -61.41 148.58 85.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.75 177.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.504 2.136 . . . . 0.0 112.343 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.4 t -123.09 30.25 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.406 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 12.6 p90 -173.23 84.2 0.4 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.99 154.43 66.83 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.537 2.158 . . . . 0.0 112.315 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.49 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.1 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.775 0.322 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.65 172.09 6.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.72 156.79 19.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.8 167.84 12.82 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.84 59.16 5.0 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.659 2.239 . . . . 0.0 112.464 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -179.21 37.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.918 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.3 140.65 17.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.4 51.88 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 73.02 5.72 5.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.554 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -179.83 -54.8 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.822 0.344 . . . . 0.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -82.06 139.73 34.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.659 HD12 ' HA2' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -96.31 148.96 22.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -59.7 153.38 52.52 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.44 143.97 42.54 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.61 2.207 . . . . 0.0 112.302 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.54 108.62 1.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.93 26.78 3.71 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.0 m -103.86 167.68 9.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.785 0.326 . . . . 0.0 110.814 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.765 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -105.27 108.91 20.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.4 p -98.23 -31.46 12.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -123.45 124.5 43.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -135.49 38.17 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.6 m -60.36 156.07 16.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.7 -29.88 68.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -72.67 -32.51 41.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.2 p -176.58 170.84 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.9 p -140.55 113.99 8.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.405 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 9.2 m170 -96.15 -177.29 3.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.765 ' CZ ' HG23 ' A' ' 21' ' ' THR . 28.8 m-85 -140.67 172.16 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.59 127.72 54.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.5 p -97.01 22.81 7.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.659 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 52.91 29.65 35.12 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.707 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -112.12 -34.24 6.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.338 . . . . 0.0 111.002 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.3 m -145.52 172.98 12.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.1 m -96.43 10.61 37.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.266 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -119.34 124.51 46.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.834 0.349 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.3 m -59.73 110.42 2.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.09 157.69 5.93 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.428 2.086 . . . . 0.0 112.317 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 p -60.15 -32.92 71.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -101.96 149.73 36.79 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.12 -177.59 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.599 2.2 . . . . 0.0 112.312 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.487 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.1 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.865 0.365 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.467 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER 60.3 172.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.467 ' H ' HG22 ' A' ' 5' ' ' THR . 0.9 OUTLIER -140.62 141.5 35.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.55 159.32 10.58 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.54 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.55 62.15 2.87 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.574 2.183 . . . . 0.0 112.346 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -177.19 37.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.2 p -170.53 155.52 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.6 51.77 2.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 72.04 6.52 5.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.576 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 t -176.61 -51.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -81.03 122.14 26.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.436 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -90.2 140.79 29.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -58.83 155.34 31.85 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.54 146.28 43.59 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.558 2.172 . . . . 0.0 112.342 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.6 108.11 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.33 23.48 4.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.56 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.5 m -112.16 113.88 26.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.366 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 t -58.2 166.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.047 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.5 p -135.55 -46.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -83.19 137.22 34.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -133.68 73.37 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.31 63.41 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 77.7 -56.52 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.024 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 28' ' ' SER . 11.4 p -135.22 -43.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.232 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.469 ' N ' HG13 ' A' ' 27' ' ' VAL . 58.8 m -60.01 146.59 42.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.55 144.77 10.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -106.87 108.99 20.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -73.42 116.55 14.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.6 m -74.13 147.51 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.806 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 65.1 p -99.5 18.13 18.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.179 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.16 32.28 12.87 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.768 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -112.08 -34.13 6.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.987 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -146.8 172.46 13.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.8 m -75.43 -30.63 60.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -58.42 158.91 6.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.4 m -114.09 88.21 14.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_exo -51.66 174.3 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.54 2.16 . . . . 0.0 112.333 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 m -98.13 36.45 1.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -106.91 80.07 0.74 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -26.96 27.15 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.544 2.163 . . . . 0.0 112.322 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.455 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.8 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.792 0.329 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 p 59.0 109.22 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.7 p -88.87 144.03 26.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.66 169.89 33.46 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.78 -27.66 53.68 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.601 2.201 . . . . 0.0 112.365 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.1 t -79.3 -30.38 42.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 m -100.69 136.8 39.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.03 -67.72 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -111.45 -27.33 8.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.8 t -175.08 -39.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.969 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.92 155.91 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.416 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -98.65 145.66 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.839 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -59.29 150.39 63.94 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.81 148.15 38.33 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.677 2.251 . . . . 0.0 112.411 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.27 115.11 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.94 21.1 8.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.427 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.3 m -114.23 132.57 56.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.826 0.345 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.492 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 1.6 t -59.11 133.54 56.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.6 p -102.53 -31.59 10.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.761 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -132.7 144.63 50.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -134.09 116.34 15.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.39 156.62 36.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.7 t -60.1 -33.18 71.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.7 m -82.19 -32.91 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.178 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -177.64 168.44 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.44 -178.71 4.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -119.46 179.95 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.791 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.492 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 5.7 m-85 -149.92 117.13 6.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.173 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.8 t -84.28 134.18 34.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.836 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.707 HG23 ' HB2' ' A' ' 35' ' ' ARG . 3.8 t -95.65 21.18 8.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.062 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.8 26.91 18.77 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.74 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.707 ' HB2' HG23 ' A' ' 33' ' ' THR . 8.2 mtm180 -104.63 -34.28 8.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.1 p -164.44 169.88 16.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.13 -30.11 64.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -65.22 111.6 3.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 74.6 m -67.23 153.52 94.53 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.41 177.39 6.09 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.542 2.161 . . . . 0.0 112.245 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.35 35.93 3.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -147.76 149.67 34.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.2 -27.01 28.39 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.593 2.195 . . . . 0.0 112.335 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.482 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 38.0 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.825 0.345 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -107.53 163.44 13.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.42 132.17 39.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.02 -171.75 42.49 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.55 -27.76 12.64 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.599 2.199 . . . . 0.0 112.362 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.8 t -81.19 -29.58 34.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.3 p -115.13 122.98 47.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -77.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -134.61 6.78 3.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.554 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.3 t -178.08 -52.67 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.817 0.342 . . . . 0.0 111.026 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -84.95 140.72 30.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.02 162.21 16.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -69.68 149.45 96.81 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.38 148.47 33.28 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.634 2.223 . . . . 0.0 112.336 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.91 118.48 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.76 16.26 17.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.601 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.7 m -113.49 112.24 23.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.863 0.363 . . . . 0.0 110.803 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 1.5 t -55.35 153.77 6.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.144 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.3 p -128.25 -44.05 1.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -97.1 161.99 13.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.813 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -178.19 133.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.553 HG22 ' HB3' ' A' ' 28' ' ' SER . 1.5 t -133.77 58.06 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.144 0.497 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.743 ' O ' HG13 ' A' ' 27' ' ' VAL . 3.9 m 54.69 23.06 4.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.787 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.743 HG13 ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -176.85 -49.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.924 0.392 . . . . 0.0 111.448 179.74 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.553 ' HB3' HG22 ' A' ' 25' ' ' THR . 7.2 t -88.73 175.71 7.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.04 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.52 144.43 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.816 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -115.16 114.93 25.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 3.8 m-85 -80.88 125.57 30.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.997 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 57.4 m -75.06 137.26 41.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 t -92.32 13.86 18.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.51 27.72 26.91 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.639 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.0 ttp85 -110.79 -34.49 6.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.77 0.319 . . . . 0.0 110.983 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 m -154.27 172.51 17.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.999 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.6 t -73.97 -28.33 61.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -57.04 149.93 18.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 94.8 m -113.74 88.71 14.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -51.42 177.67 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.557 2.171 . . . . 0.0 112.349 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.5 p -95.25 44.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -106.16 86.04 1.88 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -26.97 27.19 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.581 2.187 . . . . 0.0 112.288 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.497 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.845 0.355 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.504 HG22 ' HB3' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 59.58 97.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.48 120.95 26.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.72 -175.31 41.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.531 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.09 -28.1 24.09 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.564 2.176 . . . . 0.0 112.295 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 54.3 m -74.71 -31.99 62.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.8 m -100.12 127.33 46.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -72.96 -74.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -107.97 -28.41 9.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -169.14 -42.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.31 130.87 35.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.447 HD13 ' HA2' ' A' ' 34' ' ' GLY . 4.5 pp -67.05 165.53 15.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -81.08 159.46 68.13 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.8 145.13 94.69 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.588 2.192 . . . . 0.0 112.326 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.7 113.83 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.87 25.51 4.49 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.526 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.6 m -124.58 147.39 48.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.669 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -65.06 167.81 7.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.3 p -154.89 -44.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.025 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.517 ' CE3' HG22 ' A' ' 25' ' ' THR . 1.3 t90 -83.34 -69.23 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.936 0.398 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.9 tttt 55.4 85.96 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.064 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.517 HG22 ' CE3' ' A' ' 23' ' ' TRP . 8.0 t -143.46 121.31 11.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.39 31.51 20.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.579 ' O ' HG12 ' A' ' 27' ' ' VAL . 14.9 t 70.56 31.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.4 t -144.84 94.5 2.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.561 ' CB ' HG22 ' A' ' 21' ' ' THR . 3.3 p -96.96 174.48 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.423 ' CD2' ' CE3' ' A' ' 23' ' ' TRP . 14.1 m170 -106.89 -26.39 11.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.669 ' CZ ' HG23 ' A' ' 21' ' ' THR . 26.7 m-85 62.67 145.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.52 153.27 21.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.9 p -110.26 20.86 17.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.447 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . 52.17 25.73 18.9 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.746 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -112.05 -33.79 6.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.0 t -147.0 173.41 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.504 ' HB3' HG22 ' A' ' 5' ' ' THR . 2.3 t -96.04 10.81 36.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.213 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -115.55 107.1 14.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.812 0.339 . . . . 0.0 110.843 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.9 m -57.99 109.33 1.72 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.18 172.96 11.15 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.397 2.065 . . . . 0.0 112.326 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.7 t -85.38 57.31 4.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -141.15 87.3 10.8 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.9 -174.72 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.577 2.185 . . . . 0.0 112.311 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.521 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 38.2 m . . . . . 0 N--CA 1.462 0.13 0 CA-C-O 120.84 0.352 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.468 HG22 ' HB2' ' A' ' 37' ' ' CYS . 98.0 m 63.33 144.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.676 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 p -105.2 157.58 17.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.06 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.44 160.7 10.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.388 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -51.36 -24.76 16.69 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.574 2.183 . . . . 0.0 112.478 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 t -80.46 -34.51 35.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.4 m -107.62 125.56 51.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.001 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -74.62 -71.49 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.806 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -112.8 -26.14 8.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.2 t -174.01 -40.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -58.36 172.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.506 HD22 ' HA2' ' A' ' 34' ' ' GLY . 0.8 OUTLIER -128.16 126.88 41.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.404 ' N ' HD23 ' A' ' 15' ' ' LEU . 28.5 mttm -57.98 162.45 5.43 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.965 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.52 146.18 73.19 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.568 2.179 . . . . 0.0 112.368 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.95 160.57 5.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.068 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.35 24.44 59.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.554 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.8 m -119.84 131.3 55.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.358 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 9.7 t -58.48 149.17 25.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.5 p -123.81 -41.46 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -77.71 -66.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.0 tttt 60.96 79.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.46 172.28 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.4 m -91.57 59.68 3.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.44 -38.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.69 122.87 1.02 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.6 p -97.21 157.94 15.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -125.09 120.22 30.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.763 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 2.7 m-85 -83.47 120.05 25.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.9 t -76.6 138.25 40.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.5 p -93.53 15.89 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.201 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.506 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . 50.44 26.19 9.58 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.771 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.9 -36.07 8.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.988 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.2 t -159.02 165.92 32.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.468 ' HB2' HG22 ' A' ' 5' ' ' THR . 8.0 m -71.92 -29.04 63.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -69.9 89.3 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 97.9 m -59.1 149.1 68.75 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.11 178.25 4.35 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.533 2.155 . . . . 0.0 112.241 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 m -101.05 -31.29 11.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 32.7 p90 -82.84 148.69 58.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.7 176.35 7.61 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.562 2.174 . . . . 0.0 112.286 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.523 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 p -72.95 116.68 13.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.6 p -109.3 172.03 7.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.45 171.99 14.75 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.68 -27.85 35.18 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.558 2.172 . . . . 0.0 112.305 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.93 35.84 2.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.1 m -155.25 125.29 6.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -59.26 -31.58 69.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.969 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 165.75 -29.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.276 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 91.7 m -134.48 -45.89 0.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -86.28 169.87 12.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -128.75 144.98 51.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -59.67 153.85 49.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.72 147.74 86.13 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.579 2.186 . . . . 0.0 112.37 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.532 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -57.39 114.8 2.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.43 15.63 7.51 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.68 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.445 HG22 ' N ' ' A' ' 21' ' ' THR . 67.1 m -100.01 161.99 13.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 0.0 110.828 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.445 ' N ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER -99.32 118.45 36.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.2 p -102.29 -43.28 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -114.83 151.57 33.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -179.22 109.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.503 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.1 m -155.69 60.96 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.984 0.421 . . . . 0.0 111.009 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.9 m 45.95 30.0 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.47 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 25' ' ' THR . 8.7 m -117.61 -40.4 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.182 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.89 -37.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t 65.02 96.51 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -78.99 175.78 10.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -135.12 172.73 12.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.43 131.46 42.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.4 18.39 12.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.532 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 49.92 26.51 8.54 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.758 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -119.45 -40.44 2.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 111.071 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -148.83 168.68 22.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.01 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.9 m -74.96 -28.92 60.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -63.8 143.27 57.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.8 m -95.05 148.27 34.4 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.73 151.18 63.37 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.586 2.191 . . . . 0.0 112.295 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -63.27 -31.68 72.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -105.84 156.07 37.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.86 -27.09 26.41 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.561 2.174 . . . . 0.0 112.306 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.378 -1.235 . . . . 0.0 112.47 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.0 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.789 0.328 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.19 150.31 21.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.6 p -103.64 152.0 22.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.66 166.33 13.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.542 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.53 -21.57 31.33 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.66 2.24 . . . . 0.0 112.56 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.6 36.0 1.43 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.12 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 p -178.3 122.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.837 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -59.51 -80.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -136.52 7.7 3.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.582 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -178.47 -47.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -73.35 157.09 37.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.436 HD11 ' C ' ' A' ' 36' ' ' SER . 0.9 OUTLIER -119.63 136.25 54.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -56.94 148.97 46.84 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.28 144.3 39.8 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.588 2.192 . . . . 0.0 112.337 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.714 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -62.39 107.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.34 28.03 3.43 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.7 m -109.9 150.74 27.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.763 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -80.79 137.33 36.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.9 p -127.35 -45.25 1.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -94.64 147.76 22.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -169.08 92.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.57 ' O ' HG23 ' A' ' 25' ' ' THR . 10.0 t -96.43 74.12 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 78.06 -56.56 0.49 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.059 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 28' ' ' SER . 11.3 p -133.05 -44.77 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.173 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.525 ' HB3' HG22 ' A' ' 25' ' ' THR . 0.3 OUTLIER -69.74 115.53 9.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.876 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.3 p -128.69 143.72 51.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -108.16 -179.4 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.763 ' CZ ' HG23 ' A' ' 21' ' ' THR . 20.0 m-85 -139.96 171.64 13.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.7 m -117.03 152.54 34.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.518 HG23 ' HB2' ' A' ' 35' ' ' ARG . 10.1 t -111.82 20.72 16.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.97 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.714 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 51.19 32.6 29.05 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.645 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.518 ' HB2' HG23 ' A' ' 33' ' ' THR . 7.0 mtt180 -113.23 -35.3 5.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.758 0.313 . . . . 0.0 111.061 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.436 ' C ' HD11 ' A' ' 15' ' ' LEU . 27.4 t -152.8 172.51 16.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.046 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.7 m -72.26 -29.69 64.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -58.49 158.67 7.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.0 m -114.51 87.3 13.84 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.13 172.56 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.551 2.167 . . . . 0.0 112.271 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.7 m -97.75 40.1 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -106.79 81.79 0.95 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.89 -167.99 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.59 2.193 . . . . 0.0 112.287 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.506 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.4 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.877 0.37 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.454 HG22 ' HB2' ' A' ' 37' ' ' CYS . 87.1 m -147.23 151.27 36.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.2 p -104.83 156.54 17.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.41 167.25 12.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.551 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.68 -25.06 48.88 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.641 2.227 . . . . 0.0 112.492 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.0 t -95.21 41.81 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.1 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.2 p 178.37 139.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 ttt85 -74.93 -79.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -134.66 7.11 3.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.499 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -179.78 -42.21 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.867 0.365 . . . . 0.0 110.773 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -90.51 138.22 31.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.8 152.19 19.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -58.81 151.94 51.07 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -55.52 149.65 46.84 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.63 2.22 . . . . 0.0 112.381 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.28 119.14 5.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.066 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.16 22.5 12.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.6 m -110.68 127.71 55.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.92 0.39 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -58.28 165.19 2.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.972 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 p -156.95 30.27 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.514 ' CH2' HG21 ' A' ' 25' ' ' THR . 2.0 t90 -144.28 -67.48 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? 56.77 76.24 0.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.041 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.514 HG21 ' CH2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -94.31 71.04 3.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 78.04 -56.53 0.49 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.033 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.479 HG13 ' N ' ' A' ' 28' ' ' SER . 11.4 p -133.7 -44.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.196 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.479 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -75.39 175.77 8.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.967 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.98 158.31 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.402 ' CD2' ' CE3' ' A' ' 23' ' ' TRP . 13.6 m170 -107.99 105.1 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -70.79 115.87 10.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.0 t -68.09 157.25 35.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.6 p -104.24 17.81 23.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.29 27.38 16.07 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.74 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -113.16 -68.83 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.984 0.421 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.57 164.02 13.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.454 ' HB2' HG22 ' A' ' 5' ' ' THR . 19.6 m -71.6 -29.08 64.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -67.84 120.41 14.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 81.4 m -71.89 147.37 91.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.96 131.75 18.73 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.542 2.161 . . . . 0.0 112.338 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.6 t -60.17 -31.5 70.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 32.7 p90 -93.83 151.35 39.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.87 130.26 18.9 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.615 2.21 . . . . 0.0 112.324 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.508 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.743 0.306 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.425 HG23 ' HB2' ' A' ' 37' ' ' CYS . 3.2 t 43.1 73.58 0.14 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.51 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.8 m -64.55 131.93 48.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.11 179.34 44.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.526 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.26 -39.44 72.11 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.595 2.197 . . . . 0.0 112.286 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.53 40.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.47 131.11 25.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.81 56.45 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.806 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 74.58 3.87 4.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.555 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 170.9 -51.61 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.82 0.343 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -77.56 157.68 30.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.495 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -97.88 138.73 34.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.963 -179.885 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -61.33 159.73 28.73 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.878 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.73 144.52 84.14 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.558 2.172 . . . . 0.0 112.257 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 161.91 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.144 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.35 24.09 58.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.563 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.7 m -116.58 139.08 50.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.325 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.631 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -75.98 145.27 40.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.5 p -120.04 -41.06 2.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -80.02 -67.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 tttt 58.64 86.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.455 HG22 ' H ' ' A' ' 26' ' ' SER . 1.1 m -125.19 172.17 9.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.455 ' H ' HG22 ' A' ' 25' ' ' THR . 0.8 OUTLIER -89.75 52.93 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.46 -38.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.187 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.5 m -167.2 134.2 2.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.4 p -130.02 161.25 31.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -124.76 159.53 30.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.631 ' CZ ' HG23 ' A' ' 21' ' ' THR . 77.1 m-85 -120.49 161.53 21.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.49 157.04 17.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.7 p -107.93 15.22 24.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.208 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.36 48.16 54.83 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.706 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.416 ' C ' HD13 ' A' ' 15' ' ' LEU . 8.9 ttm-85 -157.23 -45.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.387 . . . . 0.0 111.02 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.07 172.41 6.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.425 ' HB2' HG23 ' A' ' 5' ' ' THR . 13.7 m -120.47 28.27 8.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -126.93 110.91 13.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.4 m -57.58 109.7 1.96 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -51.65 177.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.477 2.118 . . . . 0.0 112.288 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -99.62 32.33 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -161.34 148.86 12.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.56 -178.56 2.71 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.529 2.152 . . . . 0.0 112.327 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.488 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.8 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.859 0.361 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.69 HG23 ' SG ' ' A' ' 37' ' ' CYS . 2.2 t -91.95 137.76 32.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.86 157.17 16.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.91 -176.07 32.74 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.522 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.56 -26.07 20.29 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.594 2.196 . . . . 0.0 112.435 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.22 40.98 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.011 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 p -177.22 132.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -67.61 -80.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -136.85 7.87 2.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.601 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -175.84 -46.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.784 0.326 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -86.16 160.84 19.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.54 150.78 37.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -58.43 158.4 14.94 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.94 143.41 40.03 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.564 2.176 . . . . 0.0 112.362 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.702 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -60.23 116.58 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.84 27.72 7.76 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.53 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.404 HG22 ' N ' ' A' ' 21' ' ' THR . 7.1 m -109.84 165.05 12.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.92 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -85.24 150.98 24.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.8 p -143.87 -46.94 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.441 ' CH2' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -75.84 162.63 27.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.85 97.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.441 ' CG2' ' CH2' ' A' ' 23' ' ' TRP . 4.1 t -161.19 138.33 8.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 59.98 30.08 19.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.576 ' O ' HG12 ' A' ' 27' ' ' VAL . 14.3 t 70.22 30.61 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.955 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -138.03 145.41 41.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.8 m -142.82 172.67 12.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -128.33 173.93 9.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.92 ' CE1' HG23 ' A' ' 21' ' ' THR . 5.3 m-85 -125.75 142.61 51.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 55.8 m -92.09 166.2 12.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.462 HG23 ' HG3' ' A' ' 35' ' ' ARG . 10.2 t -119.64 26.1 9.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.973 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.702 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 55.93 32.44 59.34 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.613 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.462 ' HG3' HG23 ' A' ' 33' ' ' THR . 7.1 mtt180 -112.21 -68.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.983 0.421 . . . . 0.0 110.963 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 m -131.54 172.7 11.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.69 ' SG ' HG23 ' A' ' 5' ' ' THR . 67.7 m -71.98 -31.1 65.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.52 97.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.3 m -58.47 109.98 2.25 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.37 177.36 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.444 2.096 . . . . 0.0 112.309 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -99.09 36.05 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -115.49 82.78 10.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.17 95.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.595 2.197 . . . . 0.0 112.316 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.426 ' HA2' ' CG ' ' A' ' 31' ' ' TYR . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.352 -1.249 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.842 0.353 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.553 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -93.25 112.11 23.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 t -143.0 157.26 44.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.82 -155.04 25.67 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.84 -26.72 26.93 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.599 2.199 . . . . 0.0 112.373 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 t -117.45 29.71 7.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.994 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.5 m -153.21 157.11 39.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.5 ttm-85 -126.89 101.78 6.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.789 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 65.68 -76.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.1 m -146.91 31.19 0.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -140.8 113.76 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.56 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.4 pp -79.05 152.03 31.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.56 ' O ' HD12 ' A' ' 15' ' ' LEU . 22.2 mttt -66.42 162.86 45.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -65.12 145.64 85.12 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.603 2.202 . . . . 0.0 112.367 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.42 113.67 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.055 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.2 22.98 5.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.568 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.55 HG21 ' HD3' ' A' ' 16' ' ' LYS . 11.4 m -96.97 164.37 12.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.665 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -108.67 108.04 18.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.883 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.4 p -94.03 -36.34 12.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.13 122.68 45.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -143.99 31.99 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.549 HG23 ' H ' ' A' ' 28' ' ' SER . 7.4 t -65.15 170.14 4.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 m -68.27 -26.75 65.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.044 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -72.78 -33.83 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.113 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.549 ' H ' HG23 ' A' ' 25' ' ' THR . 0.4 OUTLIER -178.09 -169.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.3 p -159.15 149.4 19.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -138.82 170.95 15.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.665 ' CZ ' HG23 ' A' ' 21' ' ' THR . 13.2 m-85 -131.74 172.1 12.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -114.96 151.39 34.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.8 p -104.93 20.86 18.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.46 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . 55.0 35.23 58.89 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.684 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.4 mmp_? -156.0 36.92 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.756 0.313 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.4 p -175.95 166.37 3.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.553 ' SG ' HG22 ' A' ' 5' ' ' THR . 93.8 m -118.85 27.42 8.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -147.66 132.34 17.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.9 m -65.07 148.23 97.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.17 177.47 5.83 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.572 2.181 . . . . 0.0 112.272 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.64 -31.44 12.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' A' ' 42' ' ' TYR . 40.9 p90 -91.05 110.07 39.67 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.92 -170.81 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.492 2.128 . . . . 0.0 112.296 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.396 -1.225 . . . . 0.0 112.484 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 76.7 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.877 0.37 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.429 HG22 ' N ' ' A' ' 6' ' ' THR . 96.2 m -95.97 162.17 13.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.743 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.429 ' N ' HG22 ' A' ' 5' ' ' THR . 0.2 OUTLIER -113.72 155.82 24.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.967 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.02 172.34 27.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.553 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -62.55 -30.0 78.97 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.638 2.225 . . . . 0.0 112.269 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.9 t -98.55 37.36 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.712 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.33 117.37 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.815 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -80.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -117.51 -19.48 9.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.396 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.2 t -169.59 -40.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.785 0.326 . . . . 0.0 111.023 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 pttt -78.12 139.37 39.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.571 HD12 ' HA2' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -99.53 148.21 24.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -57.38 161.83 5.16 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.986 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.04 145.33 33.92 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.595 2.197 . . . . 0.0 112.405 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.703 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -69.22 108.79 3.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.52 28.09 3.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.6 t -123.57 164.12 19.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.34 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.426 HG22 ' HB2' ' A' ' 29' ' ' SER . 0.0 OUTLIER -78.79 155.01 29.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.807 179.829 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.1 p -151.34 -46.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.538 ' CE2' HG23 ' A' ' 25' ' ' THR . 17.5 t90 -82.08 -80.6 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.022 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt 60.76 116.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.074 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.538 HG23 ' CE2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -113.23 56.84 0.68 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.213 0.53 . . . . 0.0 110.949 179.888 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m 55.29 21.77 4.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.693 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.489 HG13 ' N ' ' A' ' 28' ' ' SER . 14.7 p -179.48 -45.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.798 0.333 . . . . 0.0 111.495 179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.489 ' N ' HG13 ' A' ' 27' ' ' VAL . 48.0 t -121.21 127.84 51.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.426 ' HB2' HG22 ' A' ' 21' ' ' THR . 70.7 p -125.66 148.5 48.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -105.56 109.24 21.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.775 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -58.17 147.02 31.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -83.1 142.04 31.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 t -90.22 5.29 47.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.259 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.703 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 52.72 27.53 28.05 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.697 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.4 ttt85 -114.49 -36.16 4.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.797 0.332 . . . . 0.0 111.04 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m -133.04 170.33 15.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.975 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.3 m -72.16 -29.0 63.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -89.14 159.09 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.9 m -90.77 148.82 39.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.63 177.44 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.568 2.179 . . . . 0.0 112.273 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.2 t -118.51 31.48 6.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -158.89 150.56 16.95 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.93 91.6 0.53 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.609 2.206 . . . . 0.0 112.337 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.377 -1.235 . . . . 0.0 112.51 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.4 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.817 0.341 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.89 155.29 16.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.721 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.23 168.29 9.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.948 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.27 178.0 15.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.396 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -78.47 53.94 4.79 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.681 2.254 . . . . 0.0 112.548 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER 177.93 37.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.836 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 m -163.85 96.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.017 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -64.53 82.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.491 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 77.13 -59.9 0.47 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.1 t -140.16 -41.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.207 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -69.54 127.02 31.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.981 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.65 HD12 ' HA2' ' A' ' 34' ' ' GLY . 0.7 OUTLIER -89.0 150.35 22.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -61.77 154.08 68.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -62.55 146.34 95.43 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.593 2.195 . . . . 0.0 112.303 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.89 111.5 1.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.07 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.32 23.61 4.76 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.61 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 21' ' ' THR . 8.5 m -99.86 164.81 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 110.818 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.746 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -110.9 122.36 47.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.834 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.3 p -111.57 -44.88 3.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -92.67 156.63 16.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -176.69 79.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.9 p -90.7 71.82 6.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 77.95 -56.52 0.49 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.065 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 28' ' ' SER . 11.4 p -128.72 -43.77 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.47 ' N ' HG13 ' A' ' 27' ' ' VAL . 13.6 t -73.89 108.6 6.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.1 p -133.25 88.22 2.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.429 ' CD2' ' HG3' ' A' ' 43' ' ' PRO . 15.5 m170 -60.47 178.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.746 ' CZ ' HG23 ' A' ' 21' ' ' THR . 22.1 m-85 -138.31 161.81 35.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 67.3 m -99.25 134.89 41.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.7 p -97.08 23.47 7.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.085 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.65 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 53.88 26.93 35.21 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.647 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -104.9 -34.06 8.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 110.938 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -155.22 161.07 41.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.8 m -71.83 -27.01 62.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -78.81 117.62 20.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.9 m -59.67 149.39 71.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.05 177.45 5.77 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.59 2.193 . . . . 0.0 112.316 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -130.22 31.67 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.402 ' O ' ' CD2' ' A' ' 42' ' ' TYR . 15.6 p90 -149.13 87.6 5.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.429 ' HG3' ' CD2' ' A' ' 30' ' ' HIS . 54.2 Cg_exo -52.06 98.11 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.596 2.198 . . . . 0.0 112.317 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.509 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.3 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.835 0.35 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.2 p -70.8 99.26 1.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.93 109.48 21.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.36 -173.02 44.18 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.54 -25.54 10.94 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.657 2.238 . . . . 0.0 112.569 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.03 42.05 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.095 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.8 p -176.78 127.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.038 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.46 -164.39 1.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.765 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.81 95.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.197 0.522 . . . . 0.0 111.088 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.7 m 56.91 59.86 3.29 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.032 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -176.79 142.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.431 ' C ' HD12 ' A' ' 15' ' ' LEU . 4.6 pp -105.16 165.44 11.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.494 ' HD3' HG21 ' A' ' 20' ' ' THR . 23.7 mttm -83.43 154.15 65.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.74 146.84 79.98 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.606 2.204 . . . . 0.0 112.371 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.627 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -60.19 115.92 3.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.011 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.42 19.01 6.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.653 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.494 HG21 ' HD3' ' A' ' 16' ' ' LYS . 4.5 m -100.65 166.11 11.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.34 . . . . 0.0 110.845 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.619 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -107.82 119.01 38.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.781 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.1 p -96.45 -40.57 9.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.008 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.49 48.22 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.034 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -68.46 71.81 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.459 HG22 ' H ' ' A' ' 26' ' ' SER . 1.3 m -100.61 171.07 7.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.459 ' H ' HG22 ' A' ' 25' ' ' THR . 3.4 m -78.04 -5.45 51.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.414 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -101.39 -36.36 4.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.837 0.351 . . . . 0.0 111.181 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.69 -175.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.9 p -154.3 155.91 36.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -109.86 -32.06 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.619 ' CE2' HG23 ' A' ' 21' ' ' THR . 37.8 m-85 60.37 167.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.847 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -127.3 140.84 51.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.451 HG23 ' HG3' ' A' ' 35' ' ' ARG . 3.9 t -106.27 23.31 14.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.627 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 57.65 26.69 57.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.584 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.451 ' HG3' HG23 ' A' ' 33' ' ' THR . 34.4 mtt180 -100.5 -33.04 10.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -172.2 170.27 5.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.3 t -71.86 -29.42 64.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -72.7 107.28 5.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -68.57 146.08 97.49 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.62 165.72 31.92 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.508 2.139 . . . . 0.0 112.307 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -107.64 66.66 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -160.85 87.3 1.74 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.0 155.58 64.8 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.536 2.157 . . . . 0.0 112.303 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.463 -179.993 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.829 0.347 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.25 158.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 p -129.8 141.97 50.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.8 -170.87 37.61 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.529 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.57 -41.47 3.23 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.879 2.386 . . . . 0.0 112.359 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.7 t -65.15 -24.69 67.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.367 -179.676 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.0 p -120.48 119.48 33.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.97 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -57.35 -76.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -132.91 6.28 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.48 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 177.45 -53.13 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.97 148.08 27.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.675 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.2 pp -107.03 151.6 25.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.675 ' O ' HD12 ' A' ' 15' ' ' LEU . 23.4 mttt -59.85 159.44 19.61 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.923 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.98 148.02 90.58 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.403 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.07 111.23 1.24 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.104 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.94 23.42 4.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.604 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -110.11 154.65 22.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.803 0.335 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.726 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -92.32 118.17 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.7 p -94.53 -40.55 9.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -103.38 125.28 49.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.08 35.19 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.468 HG22 ' H ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -60.2 172.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.54 ' O ' HG13 ' A' ' 27' ' ' VAL . 2.3 t -91.55 50.61 1.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 26' ' ' SER . 5.9 m -158.89 -44.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -164.89 131.43 2.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.7 p -108.69 152.16 25.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.485 ' O ' HG22 ' A' ' 21' ' ' THR . 15.0 m-70 -130.54 172.63 11.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.726 ' CZ ' HG23 ' A' ' 21' ' ' THR . 53.5 m-85 -132.81 159.74 38.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.02 145.21 29.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.806 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.627 HG23 ' HB2' ' A' ' 35' ' ' ARG . 10.0 t -105.71 23.53 13.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.078 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.403 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 52.69 25.9 23.18 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.738 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.627 ' HB2' HG23 ' A' ' 33' ' ' THR . 3.6 mtp85 -100.15 -33.63 10.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.4 t -167.76 172.38 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.2 t -72.07 -30.98 65.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -67.08 109.64 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 97.7 m -67.04 149.22 98.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.58 176.61 7.16 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.574 2.182 . . . . 0.0 112.309 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.402 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 23.0 m -116.76 31.62 6.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -114.38 87.52 13.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.76 90.59 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.517 2.144 . . . . 0.0 112.325 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.466 -1.185 . . . . 0.0 112.474 -179.976 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.1 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.805 0.336 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.42 HG22 ' H ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -96.81 172.29 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.42 ' H ' HG22 ' A' ' 5' ' ' THR . 0.8 OUTLIER -117.6 96.02 5.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.15 162.49 28.61 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.84 60.7 3.68 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.593 2.195 . . . . 0.0 112.39 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 179.45 39.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.806 179.879 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.739 ' SG ' HD22 ' A' ' 15' ' ' LEU . 52.2 m -149.99 161.56 42.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -95.94 43.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.814 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 72.95 6.17 5.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.547 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -178.95 -39.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.862 0.363 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -84.92 170.08 13.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.739 HD22 ' SG ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -112.31 125.68 54.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -60.17 159.5 21.47 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -64.25 144.62 86.92 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.581 2.187 . . . . 0.0 112.295 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.76 162.69 3.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.087 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.84 24.03 57.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.607 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.3 m -112.34 114.56 27.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.843 0.354 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -59.76 168.34 1.77 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 p -140.37 -46.92 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -87.52 150.68 23.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -179.02 86.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.665 HG23 HG22 ' A' ' 27' ' ' VAL . 9.4 t -130.32 61.9 1.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.998 0.428 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.5 p 49.73 34.86 7.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.32 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.665 HG22 HG23 ' A' ' 25' ' ' THR . 5.7 m -140.38 -48.68 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.244 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.433 ' N ' HG23 ' A' ' 27' ' ' VAL . 0.3 OUTLIER 179.23 -173.28 0.18 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.958 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.59 149.13 35.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -109.97 107.89 17.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -72.08 111.42 7.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 83.7 m -70.38 141.79 52.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.756 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 t -94.69 17.56 13.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.234 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.71 26.34 10.52 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.739 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -104.41 -33.71 8.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.994 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.582 ' C ' HD11 ' A' ' 15' ' ' LEU . 3.8 p -153.75 172.5 17.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 75.3 m -72.14 -30.8 65.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -59.64 142.93 51.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.1 m -102.86 92.41 3.54 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.54 165.23 28.01 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.496 2.13 . . . . 0.0 112.285 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.5 m -85.15 57.23 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -117.24 71.25 6.14 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.05 178.84 4.34 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.592 2.194 . . . . 0.0 112.311 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.414 -1.215 . . . . 0.0 112.487 179.941 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.8 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 p -75.57 115.07 14.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.3 p -104.98 133.09 50.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.67 -163.98 36.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.51 -30.64 6.27 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.595 2.196 . . . . 0.0 112.581 -179.855 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.3 t -97.65 26.19 5.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.196 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.6 m -146.06 142.72 28.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.926 179.835 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.99 54.25 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.848 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 73.04 5.62 5.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.604 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.8 t -177.97 -58.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.798 0.333 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -82.84 135.27 35.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.6 pp -94.6 149.64 21.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.489 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -66.34 157.1 83.36 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.62 145.8 91.9 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.56 2.174 . . . . 0.0 112.351 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.813 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.34 121.74 12.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.153 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.9 23.71 9.08 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.598 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.4 m -126.65 148.62 49.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.455 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -59.57 163.54 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.8 p -154.68 -46.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -102.89 79.7 1.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -82.96 119.57 24.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.443 HG22 ' H ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -124.74 172.4 9.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.443 ' H ' HG22 ' A' ' 25' ' ' THR . 2.9 p -92.86 48.73 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.45 -38.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -161.61 128.57 3.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.5 p -118.1 142.11 47.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -100.35 176.98 5.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.455 ' CZ ' HG23 ' A' ' 21' ' ' THR . 11.3 m-85 -125.8 172.4 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.03 145.12 40.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.706 HG23 ' HB2' ' A' ' 35' ' ' ARG . 3.6 t -105.84 20.37 19.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.813 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 53.46 24.62 24.39 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.796 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.706 ' HB2' HG23 ' A' ' 33' ' ' THR . 31.5 mtt-85 -110.93 -33.8 6.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.29 171.03 21.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.835 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.9 -29.64 64.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.81 148.24 30.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.6 m -112.92 90.13 14.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -51.05 177.63 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.561 2.174 . . . . 0.0 112.353 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 p -97.05 39.68 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -106.84 79.14 0.63 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.8 -177.25 1.8 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.575 2.184 . . . . 0.0 112.302 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.367 -1.24 . . . . 0.0 112.454 179.988 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.9 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.607 HG22 ' HB2' ' A' ' 37' ' ' CYS . 15.0 m 63.44 133.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.76 154.65 20.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.41 168.07 17.3 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.53 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -55.61 -23.15 38.77 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.655 2.237 . . . . 0.0 112.47 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.8 t -97.48 30.6 2.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.048 -179.782 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.8 p -179.26 126.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.825 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 mtm180 -80.98 -76.27 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -112.76 -21.01 11.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.265 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -178.21 -36.95 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.815 0.341 . . . . 0.0 111.075 -179.857 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -78.54 97.94 5.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.962 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 pp -71.86 147.83 46.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -56.25 147.22 48.17 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.016 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.32 145.64 44.11 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.584 2.189 . . . . 0.0 112.311 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.32 103.26 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.012 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.94 30.5 2.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 m -120.49 152.48 37.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.536 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -63.67 166.51 6.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.7 p -157.49 -45.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.447 ' CZ2' ' CG2' ' A' ' 25' ' ' THR . 7.0 t90 -111.51 146.88 36.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.59 105.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.447 ' CG2' ' CZ2' ' A' ' 23' ' ' TRP . 75.0 p -102.68 74.03 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 78.07 -56.46 0.49 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 28' ' ' SER . 11.4 p -133.12 -44.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.204 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.473 ' N ' HG13 ' A' ' 27' ' ' VAL . 2.6 m -71.36 116.07 11.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 t -133.63 144.24 49.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.427 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 58.5 m170 -111.48 176.17 5.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.536 ' CZ ' HG23 ' A' ' 21' ' ' THR . 14.6 m-85 -130.09 156.26 44.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.3 t -100.25 142.95 31.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.806 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.634 HG23 ' HB2' ' A' ' 35' ' ' ARG . 9.0 t -103.36 21.32 16.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.157 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.36 26.62 14.58 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.724 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.634 ' HB2' HG23 ' A' ' 33' ' ' THR . 13.2 mtt85 -98.06 -33.4 11.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -165.95 173.13 10.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.607 ' HB2' HG22 ' A' ' 5' ' ' THR . 42.6 m -71.37 -30.46 66.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -74.76 94.2 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.61 154.36 56.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -69.03 143.67 55.21 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.541 2.16 . . . . 0.0 112.287 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.427 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 56.0 p -98.3 35.6 1.75 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -146.05 158.54 48.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.18 128.08 25.98 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.545 2.163 . . . . 0.0 112.351 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.513 -179.996 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.842 0.354 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.88 163.74 13.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.97 123.22 44.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.8 166.21 35.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.549 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.94 -23.54 21.61 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.578 2.186 . . . . 0.0 112.423 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.2 t -97.21 29.53 3.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.023 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.4 m -161.51 121.02 2.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.829 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -69.45 -80.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -127.9 -3.04 5.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.628 -179.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 178.61 -38.34 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -75.08 168.34 20.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.951 -179.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.704 HD11 ' C ' ' A' ' 36' ' ' SER . 4.4 tt -120.21 138.63 53.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.502 ' O ' HD23 ' A' ' 15' ' ' LEU . 18.3 mmtt -58.89 149.15 66.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -52.99 143.58 49.13 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.565 2.176 . . . . 0.0 112.342 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.14 105.82 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.069 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.31 29.02 2.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.567 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.9 m -116.62 152.4 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.329 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.649 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -76.26 129.7 37.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -119.7 -40.93 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -100.83 165.62 11.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.47 93.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 m -104.22 63.98 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t 77.83 -56.55 0.5 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.086 -179.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 28' ' ' SER . 12.3 p -123.48 -41.36 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.162 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 27' ' ' VAL . 5.2 t -76.1 108.74 9.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.37 79.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -61.23 152.26 29.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.649 ' CZ ' HG23 ' A' ' 21' ' ' THR . 30.6 m-85 -111.28 171.08 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.21 143.62 36.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.817 HG23 ' HB2' ' A' ' 35' ' ' ARG . 10.3 t -105.81 22.97 14.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.518 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . 53.4 30.15 40.27 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.643 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.817 ' HB2' HG23 ' A' ' 33' ' ' THR . 3.6 ttp180 -102.56 -35.4 8.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.341 . . . . 0.0 110.967 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.704 ' C ' HD11 ' A' ' 15' ' ' LEU . 2.8 m -166.3 172.31 11.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.949 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.6 m -72.13 -31.09 65.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -69.87 113.63 7.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.2 m -60.53 149.23 78.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.09 177.46 5.78 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.583 2.189 . . . . 0.0 112.3 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.9 p -126.63 32.25 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -158.62 87.22 2.31 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.16 126.7 21.1 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.501 2.134 . . . . 0.0 112.352 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.358 -1.246 . . . . 0.0 112.449 -179.936 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 67.7 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.848 0.356 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.2 p -101.67 118.41 36.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -90.61 156.82 17.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.41 162.46 10.91 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.26 -28.07 41.01 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.625 2.216 . . . . 0.0 112.246 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 t -101.97 34.3 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 m -150.71 146.49 26.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -93.0 49.06 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.818 179.849 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.46 5.47 4.98 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.532 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.1 t -177.14 -52.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.803 0.335 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -74.27 156.93 36.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.94 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.445 HD11 ' CA ' ' A' ' 36' ' ' SER . 1.2 tt -117.21 136.25 53.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.407 ' O ' HD23 ' A' ' 15' ' ' LEU . 28.3 mttm -64.87 154.2 86.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.64 144.25 71.48 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.569 2.179 . . . . 0.0 112.332 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.429 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -62.7 119.9 10.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.33 22.98 7.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.538 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.0 m -125.11 129.72 50.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.795 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -59.91 156.5 14.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.4 p -131.44 -44.3 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -70.64 -74.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.016 -179.82 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 tttt 45.13 92.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.339 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.6 p -127.75 56.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.14 0.495 . . . . 0.0 111.088 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.2 p 44.89 27.22 0.25 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.925 179.541 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 50.0 t -156.82 -67.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.989 0.423 . . . . 0.0 110.941 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -126.58 147.66 49.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.408 ' HB2' ' CG2' ' A' ' 21' ' ' THR . 0.9 OUTLIER -140.29 145.18 36.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.949 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.475 ' O ' HG22 ' A' ' 21' ' ' THR . 9.9 m170 -95.74 -169.44 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.801 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.448 ' CE2' HG23 ' A' ' 21' ' ' THR . 30.9 m-85 -145.03 132.49 20.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.77 133.57 33.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.819 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.8 p -94.92 18.91 11.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.429 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 50.48 26.72 10.41 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.751 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -115.18 -37.51 4.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.824 0.345 . . . . 0.0 111.012 -179.885 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.445 ' CA ' HD11 ' A' ' 15' ' ' LEU . 18.1 p -150.11 162.96 39.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.2 m -72.1 -28.13 63.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.949 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -61.4 126.11 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 86.4 m -86.99 148.48 45.46 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.81 142.39 43.2 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.614 2.209 . . . . 0.0 112.299 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.4 p -98.3 35.91 1.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.428 ' CD2' ' N ' ' A' ' 42' ' ' TYR . 2.4 p90 -156.25 84.9 3.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.98 160.12 50.8 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.596 2.197 . . . . 0.0 112.283 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.43 -1.205 . . . . 0.0 112.503 179.93 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.75 78.71 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.4 p -75.4 107.24 7.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.44 -164.98 11.76 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.63 -26.87 15.91 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.555 2.17 . . . . 0.0 112.473 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.1 29.49 3.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.075 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.2 m -145.17 115.14 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 14.5 ptm180 -59.31 -21.64 60.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.204 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 48.2 tt0 174.88 -29.05 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.326 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.0 t -162.55 -44.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -73.68 119.21 17.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.613 HD11 ' C ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -69.3 143.46 53.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.953 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -64.07 149.14 94.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.6 145.43 59.01 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.607 2.205 . . . . 0.0 112.277 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.404 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.78 107.41 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.025 179.86 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.68 26.36 3.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 21' ' ' THR . 26.2 m -104.16 163.32 12.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.312 . . . . 0.0 110.762 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.692 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -95.81 120.22 35.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.895 -179.85 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.1 p -106.08 -37.12 6.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.782 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -114.39 134.7 54.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -149.18 60.07 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.9 t -69.49 70.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 t 79.04 -56.37 0.44 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.107 -179.876 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 28' ' ' SER . 11.6 p -138.62 -41.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.405 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.436 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -61.33 150.76 34.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.976 -179.89 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.2 t -156.9 150.06 24.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -109.75 -30.87 7.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.042 -179.89 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.692 ' CE1' HG23 ' A' ' 21' ' ' THR . 40.6 m-85 60.79 172.37 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.817 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.6 m -129.87 142.78 50.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.708 HG23 ' HB2' ' A' ' 35' ' ' ARG . 10.3 t -108.6 26.65 10.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.404 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 56.08 32.12 59.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.613 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.708 ' HB2' HG23 ' A' ' 33' ' ' THR . 1.7 tpt180 -107.18 -33.13 7.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.958 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.613 ' C ' HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -174.88 173.12 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 -179.984 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.57 -30.57 66.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -69.47 109.76 4.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.2 m -69.36 142.97 92.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.72 142.87 72.28 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.506 2.137 . . . . 0.0 112.279 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -68.09 -33.03 73.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -59.33 109.72 2.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.13 100.73 0.76 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.407 2.071 . . . . 0.0 112.266 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.084 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.462 179.949 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.8 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.825 0.345 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.1 172.89 7.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.33 132.75 51.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.06 157.1 12.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.537 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.29 -27.84 32.21 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.586 2.191 . . . . 0.0 112.397 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.5 m -92.44 48.37 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.962 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -161.98 129.05 3.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.05 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -85.93 56.98 4.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.741 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.53 6.84 5.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.488 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -179.71 -68.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.797 0.332 . . . . 0.0 111.057 179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -76.96 138.73 39.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.007 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.617 HD12 ' HA2' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -81.41 152.97 27.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.945 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -69.77 157.44 89.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.69 144.75 52.15 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.617 2.212 . . . . 0.0 112.315 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.7 107.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.046 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.29 27.31 3.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -111.44 142.76 43.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.824 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -77.68 143.93 37.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.7 p -123.44 -42.7 2.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.402 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.4 OUTLIER -95.7 -69.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.951 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.2 tttp 61.01 34.87 19.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.417 ' CG2' HG12 ' A' ' 27' ' ' VAL . 9.3 m -80.56 154.27 27.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -59.8 -31.42 69.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.417 HG12 ' CG2' ' A' ' 25' ' ' THR . 11.2 p -76.72 -31.16 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 m -173.56 132.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.4 p -107.34 93.5 4.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.422 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 19.0 m170 -79.33 157.32 27.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.824 ' CZ ' HG23 ' A' ' 21' ' ' THR . 11.2 m-85 -127.53 172.41 10.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.1 m -108.73 126.3 52.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.786 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.7 p -96.09 22.26 7.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.133 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.617 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 52.23 25.94 19.9 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.696 179.862 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.51 -33.53 6.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.865 0.364 . . . . 0.0 110.949 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 m -155.59 164.43 38.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.8 m -72.3 -27.13 62.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -63.15 159.41 17.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 80.9 m -111.98 92.32 17.77 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -50.04 145.46 19.44 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.62 2.213 . . . . 0.0 112.384 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.422 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 26.0 p -59.68 -27.91 66.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 13.4 p90 -102.29 93.19 3.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.76 90.5 0.35 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.462 2.108 . . . . 0.0 112.273 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.519 179.972 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.801 0.334 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.9 m 61.22 115.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.6 160.39 15.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.36 177.91 28.21 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.19 -25.18 37.31 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.542 2.161 . . . . 0.0 112.35 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.0 t -98.58 31.72 2.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -160.63 108.15 1.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -80.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 -179.912 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.51 -19.94 7.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.503 -179.839 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.5 t -167.11 -42.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 111.085 -179.815 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -76.94 152.98 35.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.37 145.02 30.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -59.62 164.01 6.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.02 146.03 81.17 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.589 2.193 . . . . 0.0 112.351 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.52 152.53 17.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 64.82 26.71 71.34 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.2 m -123.39 157.4 33.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 110.802 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.64 143.74 44.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.7 p -119.71 -40.87 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.446 ' CH2' HG21 ' A' ' 25' ' ' THR . 15.9 t90 -95.28 -71.06 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.026 -179.916 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 tttm 58.31 101.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.859 HG22 ' O ' ' A' ' 28' ' ' SER . 7.6 t -134.12 64.11 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 78.05 -56.51 0.49 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.064 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 28' ' ' SER . 11.5 p -133.24 -44.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.192 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.859 ' O ' HG22 ' A' ' 25' ' ' THR . 0.8 OUTLIER -77.19 77.74 3.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.879 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.3 p -103.81 114.6 28.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -85.28 132.73 34.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -92.32 152.38 19.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.21 149.6 28.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.664 HG23 ' HB2' ' A' ' 35' ' ' ARG . 5.3 t -109.24 23.19 14.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.09 32.24 49.71 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.71 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.664 ' HB2' HG23 ' A' ' 33' ' ' THR . 19.1 mtt180 -114.96 -69.21 0.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.996 0.427 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.1 p -120.26 162.65 19.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.2 m -71.94 -28.4 63.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -82.0 99.44 9.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.8 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.9 m -58.75 148.86 66.42 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.18 177.64 6.33 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.568 2.178 . . . . 0.0 112.316 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 m -98.77 32.1 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -133.83 87.59 35.2 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.86 97.26 0.64 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.575 2.184 . . . . 0.0 112.305 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.412 -1.216 . . . . 0.0 112.52 -179.996 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.813 0.339 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.472 HG22 ' H ' ' A' ' 6' ' ' THR . 1.2 m 59.24 171.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.472 ' H ' HG22 ' A' ' 5' ' ' THR . 67.9 p -134.59 150.36 50.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.99 157.09 8.25 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.39 -28.17 34.26 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.601 2.201 . . . . 0.0 112.31 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.8 t -63.23 -46.09 88.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.4 p -102.42 149.45 24.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -74.31 -77.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -133.97 6.72 3.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.481 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 177.81 -38.21 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.874 0.369 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -93.89 140.94 29.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.6 pp -105.14 148.3 27.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.486 ' O ' HD12 ' A' ' 15' ' ' LEU . 12.3 mttm -59.9 153.67 52.96 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.7 144.37 43.23 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.59 2.193 . . . . 0.0 112.297 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.665 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.48 106.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.05 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.93 27.92 3.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.434 HG22 ' N ' ' A' ' 21' ' ' THR . 58.5 m -121.14 162.05 20.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.846 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.434 ' N ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER -78.97 145.25 34.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.8 p -119.26 -41.13 2.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.574 ' CE2' HG21 ' A' ' 25' ' ' THR . 4.6 t90 -93.71 -65.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 tttt 60.76 78.93 0.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.574 HG21 ' CE2' ' A' ' 23' ' ' TRP . 25.6 p -117.25 172.41 7.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.6 t -77.19 -30.65 54.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.02 -35.94 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -178.39 124.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.1 m -89.04 136.53 32.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.4 ' O ' HG22 ' A' ' 21' ' ' THR . 19.8 m170 -104.27 152.46 22.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -122.49 172.18 8.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.7 m -123.98 150.63 44.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.0 t -112.13 24.52 12.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.998 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.665 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 55.4 31.95 57.34 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.604 179.935 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -105.72 -66.57 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.978 0.418 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.3 t -128.53 171.35 12.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.4 m -75.08 -31.11 61.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -68.09 127.22 32.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.5 m -76.53 152.34 83.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.52 170.28 16.65 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.578 2.185 . . . . 0.0 112.342 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.8 m -108.92 -31.47 7.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 42.0 p90 -85.03 110.71 30.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.07 108.2 2.09 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.437 2.091 . . . . 0.0 112.295 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.449 -1.195 . . . . 0.0 112.524 -179.99 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 81.1 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.873 0.368 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.6 p -58.92 116.35 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.51 126.81 52.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.28 -175.31 44.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.48 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.25 -27.61 34.59 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.587 2.192 . . . . 0.0 112.247 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 m -84.39 -27.43 27.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.027 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.3 m -102.66 166.15 10.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.001 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -179.74 130.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.683 179.957 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 64.4 14.35 8.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.282 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.6 t 76.05 67.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.793 -179.815 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.27 107.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.793 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.45 129.73 43.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.006 -179.917 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -60.5 147.41 83.04 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.08 145.14 65.91 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.575 2.183 . . . . 0.0 112.321 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.16 112.31 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 179.886 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.78 18.48 6.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.654 -179.922 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.4 m -110.42 131.86 54.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.776 0.322 . . . . 0.0 110.815 179.919 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 10.8 t -55.93 159.9 3.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 -179.894 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.7 p -149.56 30.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.444 ' CH2' ' CG2' ' A' ' 25' ' ' THR . 0.2 OUTLIER -176.52 172.3 2.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 -179.961 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.3 pttt -176.05 70.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.444 ' CG2' ' CH2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -69.54 70.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.926 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m 78.28 -56.39 0.48 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.075 -179.884 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.64 -44.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.229 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.09 150.0 35.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.962 -179.922 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.2 p -147.5 -179.58 6.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.965 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.403 ' CE1' ' O ' ' A' ' 40' ' ' PRO . 5.2 m-70 -131.63 133.94 45.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 3.2 m-85 -91.27 122.6 34.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.009 -179.935 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -76.29 140.16 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 179.868 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.2 p -95.74 18.2 13.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.185 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.64 31.85 23.44 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.734 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -108.31 -67.26 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.985 0.422 . . . . 0.0 111.009 -179.946 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -125.07 170.83 10.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -32.19 66.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -68.89 111.44 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 91.2 m -62.93 155.37 72.39 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.403 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 45.5 Cg_endo -68.45 175.73 6.59 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.541 2.161 . . . . 0.0 112.244 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 m -109.68 35.07 3.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -147.03 147.78 30.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.66 106.24 1.93 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.537 2.158 . . . . 0.0 112.357 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.5 -179.98 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 59.7 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.795 0.331 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.6 m 64.74 160.6 0.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.73 141.85 47.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.2 164.26 15.75 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.465 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.82 63.47 0.58 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.881 2.387 . . . . 0.0 112.351 -179.86 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.8 t -176.86 36.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.4 p -177.57 133.53 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.812 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -59.77 -77.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -134.49 6.22 3.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.498 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 175.11 -38.58 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.876 0.369 . . . . 0.0 110.743 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.88 135.76 40.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.978 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.816 HD12 ' HA2' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -78.87 134.28 36.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.937 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -59.89 157.32 30.65 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.89 143.4 72.01 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.572 2.181 . . . . 0.0 112.359 -179.937 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.54 103.6 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.006 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.31 32.05 1.43 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.0 m -107.72 141.86 38.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 110.72 179.88 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.0 132.26 45.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.002 -179.918 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 p -121.33 -42.63 2.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -97.14 129.3 44.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -135.77 43.61 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.458 HG22 ' H ' ' A' ' 26' ' ' SER . 0.6 OUTLIER -59.15 172.71 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.458 ' H ' HG22 ' A' ' 25' ' ' THR . 3.7 m -84.98 57.31 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 28' ' ' SER . 12.3 p -171.44 -41.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.42 ' N ' HG13 ' A' ' 27' ' ' VAL . 73.5 m -165.55 161.55 18.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.7 p -131.49 130.8 42.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.404 ' N ' ' CD2' ' A' ' 30' ' ' HIS . 11.9 m170 -96.91 -174.22 2.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -131.71 172.42 12.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.09 157.16 18.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.1 p -111.72 17.09 20.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.196 179.935 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.816 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 49.93 33.93 21.89 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.755 179.936 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -116.05 -37.82 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.086 -179.87 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.0 p -135.64 155.88 49.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.5 m -71.75 -25.6 62.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -77.14 141.04 40.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.97 -179.893 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.0 t -83.28 134.98 44.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.783 179.875 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.74 161.67 45.24 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.448 2.098 . . . . 0.0 112.364 -179.933 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.4 t -118.31 38.42 3.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -113.42 89.97 16.21 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -51.62 125.92 18.17 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.554 2.169 . . . . 0.0 112.357 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.479 -179.979 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.872 0.368 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.437 HG22 ' N ' ' A' ' 6' ' ' THR . 31.0 m 59.14 162.51 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.437 ' N ' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER -134.48 117.55 16.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.98 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.47 -169.62 27.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.9 -26.04 27.3 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.549 2.166 . . . . 0.0 112.328 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.91 39.42 1.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 72.2 m -153.3 136.04 15.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -69.72 -28.26 65.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.996 179.934 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 167.13 -28.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.336 -179.944 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -137.29 -46.4 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.941 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.31 173.87 8.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.682 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -120.22 154.8 34.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.918 179.901 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -58.49 153.79 37.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.969 -179.916 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.39 149.08 92.13 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.566 2.178 . . . . 0.0 112.34 179.941 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.74 109.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.218 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.5 22.35 5.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.671 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 21' ' ' THR . 14.0 m -99.07 164.0 12.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.79 0.329 . . . . 0.0 110.953 179.939 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.958 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -107.34 137.84 44.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.968 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.3 p -135.93 -46.18 0.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -85.54 165.1 17.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -176.7 78.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.73 63.73 7.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m 77.79 -56.32 0.5 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.486 HG23 ' N ' ' A' ' 28' ' ' SER . 35.1 m -126.27 -44.24 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.177 -179.939 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.486 ' N ' HG23 ' A' ' 27' ' ' VAL . 1.6 t -77.02 121.21 23.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.949 -179.856 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.5 t -134.34 101.33 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -69.73 173.1 6.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.958 ' CE2' HG23 ' A' ' 21' ' ' THR . 7.2 m-85 -132.08 172.28 12.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 98.6 m -111.51 161.33 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.42 HG23 ' HB2' ' A' ' 35' ' ' ARG . 9.1 t -118.71 25.81 9.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.014 179.919 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.52 ' HA2' HD23 ' A' ' 15' ' ' LEU . . . 55.16 32.74 57.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.621 179.923 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.42 ' HB2' HG23 ' A' ' 33' ' ' THR . 2.2 mmt-85 -108.23 -32.8 7.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -169.69 173.29 6.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.2 m -71.2 -30.64 66.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.826 179.916 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.48 100.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 95.2 m -59.16 109.61 2.03 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -68.91 177.33 5.09 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.436 2.091 . . . . 0.0 112.315 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.2 m -102.16 41.93 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -114.57 87.51 14.34 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.2 -176.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.548 2.166 . . . . 0.0 112.315 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.517 -179.973 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.1 107.13 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.2 p -105.44 130.28 53.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.6 -160.18 25.25 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.83 -27.1 18.28 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.567 2.178 . . . . 0.0 112.425 -179.899 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 t -106.52 27.25 8.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.122 -179.938 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.7 m -143.21 128.01 18.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -60.48 -80.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -135.86 6.86 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.553 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.3 t -178.49 -44.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.82 0.343 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -92.76 165.93 12.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.891 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.59 166.7 10.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -70.15 153.44 95.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.34 147.11 37.94 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.607 2.205 . . . . 0.0 112.316 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.67 108.45 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.31 25.85 4.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.475 -179.911 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.4 m -121.67 133.03 54.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -59.04 172.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.955 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.9 p -145.7 -46.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.41 ' CE3' ' CG2' ' A' ' 25' ' ' THR . 0.7 OUTLIER -63.78 -69.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? 55.3 74.58 0.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.038 179.832 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 28' ' ' SER . 1.1 t -128.82 172.56 11.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.869 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 p -57.11 -21.35 31.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.429 -179.768 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.3 t -83.18 -53.55 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.921 0.391 . . . . 0.0 111.126 -179.874 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.412 ' H ' HG23 ' A' ' 25' ' ' THR . 30.4 t -179.05 -166.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.42 153.59 46.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.785 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -115.78 114.19 24.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -71.74 116.64 12.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 59.1 m -68.4 142.41 55.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.789 HG23 ' HB2' ' A' ' 35' ' ' ARG . 10.0 t -96.56 21.4 9.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.88 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.88 28.22 31.2 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.751 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.789 ' HB2' HG23 ' A' ' 33' ' ' THR . 1.0 OUTLIER -106.08 -34.11 7.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.779 0.323 . . . . 0.0 110.995 -179.895 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.9 p -171.55 173.11 4.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 -179.93 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -30.98 66.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.69 96.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.946 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.3 m -62.96 149.37 90.47 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.04 177.42 5.79 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.566 2.177 . . . . 0.0 112.352 179.93 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -109.95 31.67 5.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.414 ' CD2' ' N ' ' A' ' 42' ' ' TYR . 4.1 m-85 -118.47 82.81 19.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.21 137.79 54.86 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.551 2.167 . . . . 0.0 112.285 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.534 179.945 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.831 0.348 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.16 108.35 20.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.8 p -109.41 158.6 17.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.79 -178.23 19.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.49 -32.4 19.76 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.55 2.167 . . . . 0.0 112.316 179.931 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.1 t -98.82 31.45 2.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 96.8 m -152.61 146.04 24.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -102.68 71.77 1.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 68.2 -68.59 0.17 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.011 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.13 39.17 3.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -154.01 143.81 21.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.11 144.1 27.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -75.0 157.73 85.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.72 143.96 57.99 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.508 2.138 . . . . 0.0 112.319 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.42 162.19 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.049 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.3 23.28 57.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.528 -179.915 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.3 m -118.6 127.47 53.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 110.832 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 t -59.35 168.9 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.8 p -145.56 -46.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -88.37 156.5 19.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -151.22 80.36 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.84 64.06 8.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 78.01 -56.61 0.49 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.047 -179.915 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.02 -44.83 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.175 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.45 152.05 39.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -148.66 178.8 8.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -126.83 123.11 36.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -80.36 118.31 21.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.62 142.22 27.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.6 p -98.85 17.77 18.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.242 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.38 27.34 16.58 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.812 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -102.06 -33.45 9.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.763 0.316 . . . . 0.0 110.962 -179.949 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -152.79 167.46 28.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 69.3 m -71.65 -30.57 65.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -78.57 107.99 11.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.5 m -60.17 149.76 73.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.26 177.46 5.9 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.598 2.199 . . . . 0.0 112.327 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.0 m -103.72 32.37 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -109.45 86.95 4.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.9 95.03 0.55 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.581 2.187 . . . . 0.0 112.299 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.499 -179.992 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.799 0.333 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.17 161.42 13.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.81 139.29 53.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.5 -178.09 26.3 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.53 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 -29.97 23.43 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.599 2.199 . . . . 0.0 112.3 179.929 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.0 t -72.12 -30.42 65.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.9 m -100.7 153.47 19.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -90.92 51.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.812 179.937 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? 71.99 8.11 5.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.515 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.53 -63.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.774 0.321 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -91.86 145.88 24.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 -179.84 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.491 ' C ' HD12 ' A' ' 15' ' ' LEU . 4.7 pp -82.89 157.16 23.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -78.96 161.29 69.11 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.26 145.08 83.05 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.612 2.208 . . . . 0.0 112.355 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.729 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -61.83 112.36 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.09 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.16 25.9 4.25 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.582 179.943 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.3 m -129.47 144.8 51.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.715 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -59.89 172.62 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.947 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.3 p -157.72 -45.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.581 ' CZ2' HG21 ' A' ' 25' ' ' THR . 9.7 t90 -74.5 -68.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.65 107.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.969 179.914 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.581 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 18.0 p -133.38 63.71 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 77.63 -56.58 0.51 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.03 -179.922 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 28' ' ' SER . 29.8 m -132.59 -44.84 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.181 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.469 ' N ' HG23 ' A' ' 27' ' ' VAL . 1.5 t -83.13 134.32 35.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.5 p -152.71 152.93 32.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -108.78 133.77 52.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.715 ' CE1' HG23 ' A' ' 21' ' ' THR . 4.4 m-85 -93.73 126.73 39.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.78 141.07 49.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.514 HG23 ' HB2' ' A' ' 35' ' ' ARG . 3.5 t -96.26 21.54 8.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.729 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 51.79 26.56 17.93 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.759 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.514 ' HB2' HG23 ' A' ' 33' ' ' THR . 0.0 OUTLIER -109.08 -33.58 6.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.828 0.347 . . . . 0.0 110.962 -179.981 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.3 m -159.7 172.67 17.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.83 -29.43 64.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.17 142.23 52.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 71.7 m -104.12 90.23 2.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.22 175.08 7.16 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.536 2.157 . . . . 0.0 112.265 -179.971 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.5 p -85.24 57.24 4.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -122.65 73.05 42.36 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.48 -167.97 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.574 2.183 . . . . 0.0 112.291 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.533 -179.981 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.4 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.793 0.33 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.473 HG22 ' H ' ' A' ' 6' ' ' THR . 0.8 OUTLIER -66.57 172.59 4.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.996 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.473 ' H ' HG22 ' A' ' 5' ' ' THR . 0.8 OUTLIER -134.75 169.57 17.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.998 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.51 168.2 11.81 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.3 -54.7 4.77 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.538 2.159 . . . . 0.0 112.311 179.976 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.66 -28.27 67.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.29 123.19 20.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.3 ttm-85 -79.76 -21.6 44.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 179.943 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 167.6 -29.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.321 -179.906 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.2 t -151.1 -46.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.818 179.926 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.1 mtmm -90.66 168.36 11.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.465 HD13 ' N ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -97.45 139.77 32.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.974 179.979 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -58.88 165.92 2.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.72 146.57 84.21 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.577 2.185 . . . . 0.0 112.338 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.88 165.19 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.077 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.42 19.79 48.74 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.567 -179.95 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.8 m -109.36 122.11 46.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.8 0.333 . . . . 0.0 110.81 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.498 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -60.02 154.95 17.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.973 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.2 p -162.26 41.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 -179.929 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -176.59 160.45 2.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -162.33 117.83 1.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.679 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.36 77.63 1.76 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 -179.811 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 t 54.68 79.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.305 179.688 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.465 ' O ' HG12 ' A' ' 27' ' ' VAL . 4.4 t 71.61 30.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.077 179.777 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.41 169.51 15.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.779 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.6 p -177.12 137.57 0.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.416 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 5.2 m170 -113.11 133.51 54.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.783 179.922 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.498 ' CZ ' HG23 ' A' ' 21' ' ' THR . 78.9 m-85 -102.68 140.26 37.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.006 -179.866 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.9 m -81.38 156.36 25.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.791 179.904 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.822 HG23 ' HB2' ' A' ' 35' ' ' ARG . 4.5 t -108.5 21.23 17.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.079 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.65 27.63 27.72 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.674 179.891 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.822 ' HB2' HG23 ' A' ' 33' ' ' THR . 0.0 OUTLIER -102.4 -33.81 9.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.0 110.968 -179.958 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.465 ' N ' HD13 ' A' ' 15' ' ' LEU . 5.0 t -154.95 172.5 17.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 m -73.1 -30.24 63.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.6 156.63 32.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 88.4 m -105.27 87.97 2.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.0 172.37 12.02 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.578 2.185 . . . . 0.0 112.287 -179.973 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.416 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 0.8 OUTLIER -86.01 57.45 4.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.984 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -122.22 79.73 44.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.92 -169.0 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.555 2.17 . . . . 0.0 112.288 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.492 179.957 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.803 0.335 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.9 p -88.44 129.56 35.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.0 m -114.9 139.52 49.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.78 -169.49 31.21 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.7 -30.32 18.06 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.595 2.197 . . . . 0.0 112.372 179.977 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -98.98 29.84 3.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.499 ' SG ' HD22 ' A' ' 15' ' ' LEU . 31.5 m -147.52 141.32 25.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -90.35 51.99 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 179.898 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 73.19 6.2 5.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.499 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 54.1 t -178.91 -56.9 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.838 0.352 . . . . 0.0 110.951 179.959 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -69.08 167.44 16.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.033 -179.893 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.6 HD13 ' N ' ' A' ' 16' ' ' LYS . 0.6 OUTLIER -108.4 131.33 54.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.6 ' N ' HD13 ' A' ' 15' ' ' LEU . 25.6 mttp -59.42 148.7 72.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.31 144.98 92.55 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.607 2.204 . . . . 0.0 112.346 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.3 122.43 17.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.44 22.92 7.51 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.597 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.7 m -115.81 139.09 50.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.855 0.359 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.803 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -76.27 142.35 41.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.995 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.8 p -118.63 -40.78 2.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -94.03 109.82 21.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -108.26 35.16 3.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.2 172.5 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.4 m -95.99 61.55 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -176.59 -39.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.142 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -163.62 163.28 24.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.7 p -138.33 161.0 38.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.402 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.5 m-70 -134.02 149.04 51.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.803 ' CZ ' HG23 ' A' ' 21' ' ' THR . 9.4 m-85 -114.12 156.76 23.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 m -100.48 168.02 10.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.531 HG23 ' HG3' ' A' ' 35' ' ' ARG . 4.1 t -122.37 26.0 8.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.442 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 55.28 27.58 47.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.656 179.941 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.531 ' HG3' HG23 ' A' ' 33' ' ' THR . 7.4 mtp85 -107.54 -38.34 5.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 m -164.74 167.39 19.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -28.9 63.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -59.82 96.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 95.6 m -61.68 149.57 84.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.12 160.54 49.25 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.572 2.181 . . . . 0.0 112.302 179.966 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.9 p -108.18 33.56 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -136.05 86.41 26.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.76 112.9 3.2 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.551 2.167 . . . . 0.0 112.347 179.934 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.331 -1.26 . . . . 0.0 112.476 -179.996 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.7 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.826 0.346 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.0 m -86.91 112.41 21.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.8 138.81 52.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.72 162.86 29.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.577 179.976 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.25 -26.0 42.32 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.598 2.199 . . . . 0.0 112.428 179.939 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.1 t -102.64 35.93 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -160.05 104.83 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.032 -179.872 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.57 82.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.56 179.766 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 71.86 -65.36 0.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -131.74 -32.75 1.45 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.589 -179.81 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -79.07 129.95 34.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.846 0.355 . . . . 0.0 111.058 -179.69 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.436 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -94.36 151.47 19.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.874 179.939 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -66.58 155.94 87.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -57.31 144.59 90.71 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.584 2.189 . . . . 0.0 112.297 -179.932 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.82 107.89 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.007 179.876 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.1 26.54 3.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.587 -179.921 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.4 m -121.41 142.4 50.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.782 0.325 . . . . 0.0 110.807 179.919 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.747 HG23 ' CD1' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -81.73 139.13 35.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 -179.984 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 p -113.49 -36.8 4.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -103.71 -177.41 3.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -179.34 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.9 t -58.34 172.96 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.073 -179.988 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.5 t 64.03 16.85 10.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.287 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.551 ' O ' HG12 ' A' ' 27' ' ' VAL . 11.7 t 69.24 30.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.937 0.399 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.7 p -151.23 134.0 15.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.999 -179.935 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.13 84.14 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.925 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -59.63 151.32 25.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.747 ' CD1' HG23 ' A' ' 21' ' ' THR . 3.2 m-85 -102.31 172.51 6.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.16 125.75 44.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.949 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.548 HG23 ' HB2' ' A' ' 35' ' ' ARG . 10.2 t -97.24 20.34 11.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.881 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.01 27.16 21.19 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.69 179.901 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.548 ' HB2' HG23 ' A' ' 33' ' ' THR . 2.5 mmt85 -99.57 -34.57 10.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.34 . . . . 0.0 110.981 -179.861 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -139.95 159.59 41.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.5 m -72.16 -26.8 62.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.026 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -96.38 139.73 32.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 32.6 m -59.96 148.46 76.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.55 177.85 6.32 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.52 2.147 . . . . 0.0 112.33 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -106.27 36.62 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -137.95 151.51 70.32 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.89 -27.03 26.37 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.552 2.168 . . . . 0.0 112.366 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.343 -1.254 . . . . 0.0 112.504 179.986 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.797 0.332 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.08 137.14 43.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.4 p -108.59 143.64 37.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.12 -174.92 30.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.52 -34.55 15.12 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.608 2.206 . . . . 0.0 112.292 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 54.0 t -71.29 -31.45 67.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.2 m -91.85 118.7 30.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -60.04 -72.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -133.66 6.62 3.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.58 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 179.26 -62.06 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.798 0.333 . . . . 0.0 110.987 179.949 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -85.93 157.85 20.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.987 -179.856 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.619 HD12 ' HA2' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -82.58 152.65 25.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.987 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -67.09 160.77 68.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.66 145.46 38.6 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.562 2.175 . . . . 0.0 112.376 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.418 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.24 112.67 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.26 26.84 6.09 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.557 -179.973 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.2 m -111.28 164.88 12.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.832 0.349 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.736 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -81.65 154.95 25.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.978 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.8 p -157.21 -45.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.449 ' NE1' HG23 ' A' ' 25' ' ' THR . 19.2 t90 -108.4 106.7 16.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -119.28 88.2 2.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.449 HG23 ' NE1' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -95.43 159.3 15.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.996 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 p -60.3 -31.25 70.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.52 -33.39 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.3 p -176.85 -173.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -149.63 134.73 18.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -106.73 176.82 5.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.736 ' CE2' HG23 ' A' ' 21' ' ' THR . 31.3 m-85 -130.91 159.18 38.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 t -91.31 150.48 21.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.69 17.71 23.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.21 179.953 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.619 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 54.07 23.19 23.33 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.796 179.932 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -116.59 -33.21 4.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.717 0.294 . . . . 0.0 111.075 179.985 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -148.72 163.47 37.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.98 -28.65 63.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -74.41 108.91 7.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.9 m -59.73 110.53 2.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -52.09 171.78 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.461 2.107 . . . . 0.0 112.287 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -102.47 34.64 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -123.41 79.72 53.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.17 113.45 1.2 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.536 2.157 . . . . 0.0 112.311 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.505 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.827 0.346 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.86 174.19 10.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -98.42 35.36 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 52.7 m -97.75 -31.39 12.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.519 HG22 ' HB2' ' A' ' 37' ' ' CYS . 85.4 m 60.22 75.61 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.4 p -57.99 116.42 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.991 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.27 166.56 34.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.548 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.6 -26.29 28.78 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.621 2.214 . . . . 0.0 112.386 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.1 t -98.22 30.37 3.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.967 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 m -162.14 119.17 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.82 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.7 mtt85 -72.54 -76.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -109.63 -27.03 9.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -172.32 -40.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.8 154.45 40.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.796 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -104.99 140.51 38.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.962 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.0 152.11 14.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.054 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.71 144.69 42.03 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.589 2.193 . . . . 0.0 112.392 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.55 108.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.032 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.7 25.42 4.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.548 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 78.7 m -113.46 109.59 18.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 110.776 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.8 107.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.7 p -75.14 -42.82 55.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -114.37 123.77 50.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -122.54 79.42 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.51 166.78 10.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.17 -31.47 67.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 m -74.38 -33.04 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.92 -170.07 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.6 p -160.58 138.45 9.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -101.98 157.32 16.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -124.64 171.49 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 99.4 m -111.56 125.9 54.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.5 p -96.32 21.64 8.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.076 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.407 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 51.42 27.15 16.3 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.781 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.01 -68.11 0.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.954 0.407 . . . . 0.0 111.023 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.4 t -124.9 169.65 11.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.519 ' HB2' HG22 ' A' ' 5' ' ' THR . 10.1 m -79.13 -27.01 42.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -62.12 100.95 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.0 m -59.16 110.1 2.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.63 163.16 1.98 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.437 2.091 . . . . 0.0 112.289 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.6 p -104.16 32.87 3.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -115.45 83.74 11.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.21 -176.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.59 2.193 . . . . 0.0 112.312 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.36 -1.245 . . . . 0.0 112.514 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.827 0.346 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.7 ptm -152.23 92.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -176.83 -40.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 m -164.39 -43.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.4 m 61.3 155.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 p -130.78 172.02 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.17 -176.16 23.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.8 -27.71 21.18 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.532 2.155 . . . . 0.0 112.369 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.8 t -72.94 -47.12 48.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.9 p -103.08 135.24 45.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -59.74 -74.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -135.42 6.32 3.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.585 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.5 t -178.8 -50.22 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.797 0.332 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -84.75 136.48 33.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.957 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.419 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -98.77 150.96 21.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -60.06 162.9 8.92 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.06 145.96 90.28 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.627 2.218 . . . . 0.0 112.328 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.775 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.14 115.91 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.093 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.72 17.59 6.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.681 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.469 HG22 ' H ' ' A' ' 21' ' ' THR . 0.8 OUTLIER -111.02 172.39 6.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 110.916 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.476 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -90.85 161.19 15.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.0 p -142.65 -46.81 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -113.82 111.87 22.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -109.79 78.8 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.461 HG22 ' H ' ' A' ' 26' ' ' SER . 0.6 OUTLIER -85.9 172.46 10.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.461 ' H ' HG22 ' A' ' 25' ' ' THR . 1.4 t -92.45 49.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -178.49 -38.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 t -150.3 144.82 25.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -130.09 144.49 51.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -103.48 -177.93 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.476 ' CE2' HG23 ' A' ' 21' ' ' THR . 69.4 m-85 -143.74 165.1 28.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 88.9 m -101.88 130.02 48.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.633 HG23 ' HB2' ' A' ' 35' ' ' ARG . 5.7 t -95.2 18.36 12.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.775 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 52.4 27.1 24.2 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.71 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.633 ' HB2' HG23 ' A' ' 33' ' ' THR . 23.3 mmt85 -111.49 -33.94 6.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 0.0 110.958 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -171.44 172.98 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 38.0 m -71.74 -30.94 66.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -60.38 86.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.74 110.84 6.08 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.812 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.449 ' HG2' ' CE1' ' A' ' 42' ' ' TYR . 37.5 Cg_endo -66.18 176.32 4.03 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.37 2.047 . . . . 0.0 112.318 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 t -112.81 69.46 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.449 ' CE1' ' HG2' ' A' ' 40' ' ' PRO . 15.2 p90 -114.46 61.1 1.12 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.976 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.55 106.85 0.93 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.554 2.169 . . . . 0.0 112.257 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.423 -1.209 . . . . 0.0 112.514 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.883 0.373 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.0 ttt -166.79 -61.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -144.38 158.47 43.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.0 m -132.19 108.51 9.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.18 85.25 5.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.1 p -57.15 108.76 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.006 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.32 -166.89 16.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.429 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -82.31 48.71 2.89 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.765 2.31 . . . . 0.0 112.682 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER 178.96 36.56 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.827 0.346 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 m -163.24 118.69 1.72 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -125.08 128.84 49.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.688 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 63.42 16.08 9.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.175 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.5 t 78.53 61.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -152.79 110.66 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.775 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.622 HD11 ' C ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -55.54 120.5 7.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.6 ' HE3' HG21 ' A' ' 20' ' ' THR . 7.5 mttp -59.06 165.28 3.61 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.83 144.8 84.57 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.602 2.201 . . . . 0.0 112.345 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.18 111.15 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.978 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.69 24.27 4.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.583 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.6 HG21 ' HE3' ' A' ' 16' ' ' LYS . 8.0 m -97.92 129.84 44.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.835 0.35 . . . . 0.0 110.826 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.791 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -60.66 150.86 30.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.936 -179.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.0 p -141.0 -47.19 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.65 125.19 40.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -127.78 34.74 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.49 173.06 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.61 49.16 1.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -152.56 -45.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.166 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -175.53 122.52 0.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.2 m -84.77 159.21 20.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -128.33 -178.7 4.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.791 ' CE2' HG23 ' A' ' 21' ' ' THR . 23.3 m-85 -139.06 169.94 16.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 90.4 m -97.59 154.03 17.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.781 HG23 ' HB2' ' A' ' 35' ' ' ARG . 9.7 t -110.7 22.71 15.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.101 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.44 27.09 32.44 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.742 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.781 ' HB2' HG23 ' A' ' 33' ' ' THR . 4.1 tpt180 -106.07 -35.88 7.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.403 ' N ' HD11 ' A' ' 15' ' ' LEU . 22.6 t -157.86 168.81 26.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.5 m -73.84 -29.06 61.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.31 136.07 57.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.8 t -78.88 118.99 75.61 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -51.62 149.1 19.36 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.448 2.099 . . . . 0.0 112.338 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.0 t -98.65 30.86 3.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -148.72 148.37 27.69 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.97 99.51 0.88 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.522 2.148 . . . . 0.0 112.31 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.337 -1.257 . . . . 0.0 112.458 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.76 0.314 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 51.1 mtt -86.87 165.52 15.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -148.41 -60.06 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.1 m -158.18 -44.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.1 m 61.39 154.68 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.21 157.81 28.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.08 164.1 12.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.28 -27.27 30.0 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.524 2.15 . . . . 0.0 112.336 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.4 t -75.5 -49.33 19.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.6 p -100.18 122.75 43.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -75.77 -70.48 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -109.68 -28.2 8.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.4 t -176.38 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -77.45 105.85 8.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -76.43 149.32 36.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -59.12 150.28 63.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.82 148.3 37.88 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.48 108.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.095 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.6 23.69 5.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.523 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.2 m -123.28 137.75 54.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.775 0.322 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.5 t -54.36 147.37 13.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.8 p -122.98 -43.21 2.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.43 ' CZ2' HG21 ' A' ' 25' ' ' THR . 14.8 t90 -85.86 -69.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.4 tttm 61.36 105.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.43 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -143.32 172.48 12.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.6 t -64.79 -30.59 71.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.949 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.3 m -79.43 -36.82 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.211 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -179.9 -176.55 0.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -134.93 156.81 48.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.404 ' CE1' ' O ' ' A' ' 40' ' ' PRO . 23.2 m170 -118.56 117.6 29.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -81.63 114.37 20.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.0 t -64.41 147.81 51.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.4 p -94.31 12.82 25.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.308 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.24 26.66 21.78 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.839 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -129.23 -44.37 1.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.348 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.65 152.45 51.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.2 m -72.11 -23.53 61.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -62.78 97.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 71.9 m -63.3 147.41 95.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.404 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 51.7 Cg_exo -52.77 177.51 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.528 2.152 . . . . 0.0 112.302 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 m -111.48 -33.5 6.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -110.69 156.11 41.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.93 147.52 61.97 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.56 2.173 . . . . 0.0 112.314 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.451 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.817 0.342 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.3 ptp -131.43 33.03 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -140.39 79.29 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 m -108.36 -27.68 9.83 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 t 43.48 93.69 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.461 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 7' ' ' GLY . 2.0 m -106.98 168.65 9.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.415 ' H ' HG22 ' A' ' 6' ' ' THR . . . 161.01 -166.76 35.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.37 -39.98 79.71 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.589 2.192 . . . . 0.0 112.316 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.06 26.37 5.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.8 m -151.38 123.93 8.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.8 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -80.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.824 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -137.1 6.2 2.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.573 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.7 t -178.34 -43.58 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -88.8 159.42 17.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.407 HD23 ' H ' ' A' ' 15' ' ' LEU . 1.1 pt? -116.59 153.46 32.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -59.42 150.17 66.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.94 144.4 45.24 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.579 2.186 . . . . 0.0 112.334 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.738 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.83 107.07 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.058 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.89 27.13 3.59 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.529 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.5 m -118.26 157.01 27.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.99 138.78 38.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.8 p -115.88 -39.27 3.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.651 ' CH2' HG21 ' A' ' 25' ' ' THR . 0.9 OUTLIER -117.5 130.47 56.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -133.22 31.45 3.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.651 HG21 ' CH2' ' A' ' 23' ' ' TRP . 9.6 t -61.27 172.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.5 t -88.59 53.62 2.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -152.48 -45.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.185 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.2 p -176.0 115.39 0.13 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -73.57 150.23 41.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -118.42 -179.48 3.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -140.95 172.42 12.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.92 137.05 54.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.7 t -103.84 23.54 12.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.05 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.738 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 54.13 34.41 52.88 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.657 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -114.67 -69.08 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.966 0.412 . . . . 0.0 110.981 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -134.19 172.29 13.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.8 m -72.85 -32.73 65.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -59.32 100.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 77.0 m -61.41 148.58 85.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.75 177.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.504 2.136 . . . . 0.0 112.343 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.4 t -123.09 30.25 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.406 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 12.6 p90 -173.23 84.2 0.4 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.99 154.43 66.83 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.537 2.158 . . . . 0.0 112.315 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.49 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.807 0.337 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.4 tmm? -98.4 37.07 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.36 -49.71 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.1 m 60.63 110.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.65 172.09 6.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.72 156.79 19.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.8 167.84 12.82 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.84 59.16 5.0 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.659 2.239 . . . . 0.0 112.464 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -179.21 37.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.918 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.3 140.65 17.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.4 51.88 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 73.02 5.72 5.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.554 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -179.83 -54.8 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.822 0.344 . . . . 0.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -82.06 139.73 34.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.659 HD12 ' HA2' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -96.31 148.96 22.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -59.7 153.38 52.52 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.44 143.97 42.54 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.61 2.207 . . . . 0.0 112.302 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.54 108.62 1.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.93 26.78 3.71 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.0 m -103.86 167.68 9.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.785 0.326 . . . . 0.0 110.814 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.765 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -105.27 108.91 20.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.4 p -98.23 -31.46 12.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -123.45 124.5 43.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -135.49 38.17 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.6 m -60.36 156.07 16.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.7 -29.88 68.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -72.67 -32.51 41.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.2 p -176.58 170.84 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.9 p -140.55 113.99 8.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.405 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 9.2 m170 -96.15 -177.29 3.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.765 ' CZ ' HG23 ' A' ' 21' ' ' THR . 28.8 m-85 -140.67 172.16 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.59 127.72 54.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.5 p -97.01 22.81 7.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.659 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 52.91 29.65 35.12 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.707 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -112.12 -34.24 6.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.338 . . . . 0.0 111.002 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.3 m -145.52 172.98 12.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.1 m -96.43 10.61 37.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.266 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -119.34 124.51 46.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.834 0.349 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.3 m -59.73 110.42 2.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.09 157.69 5.93 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.428 2.086 . . . . 0.0 112.317 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 p -60.15 -32.92 71.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -101.96 149.73 36.79 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.12 -177.59 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.599 2.2 . . . . 0.0 112.312 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.487 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.829 0.347 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 70.3 mtp -155.4 31.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.53 141.25 29.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.1 m -85.51 -32.7 22.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.467 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER 60.3 172.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.467 ' H ' HG22 ' A' ' 5' ' ' THR . 0.9 OUTLIER -140.62 141.5 35.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.55 159.32 10.58 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.54 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.55 62.15 2.87 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.574 2.183 . . . . 0.0 112.346 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -177.19 37.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.2 p -170.53 155.52 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.6 51.77 2.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 72.04 6.52 5.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.576 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 t -176.61 -51.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -81.03 122.14 26.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.436 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -90.2 140.79 29.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -58.83 155.34 31.85 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.54 146.28 43.59 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.558 2.172 . . . . 0.0 112.342 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.6 108.11 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.33 23.48 4.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.56 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.5 m -112.16 113.88 26.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.366 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 t -58.2 166.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.047 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.5 p -135.55 -46.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -83.19 137.22 34.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -133.68 73.37 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.31 63.41 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 77.7 -56.52 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.024 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 28' ' ' SER . 11.4 p -135.22 -43.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.232 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.469 ' N ' HG13 ' A' ' 27' ' ' VAL . 58.8 m -60.01 146.59 42.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.55 144.77 10.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -106.87 108.99 20.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -73.42 116.55 14.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.6 m -74.13 147.51 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.806 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 65.1 p -99.5 18.13 18.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.179 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.16 32.28 12.87 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.768 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -112.08 -34.13 6.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.987 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -146.8 172.46 13.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.8 m -75.43 -30.63 60.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -58.42 158.91 6.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.4 m -114.09 88.21 14.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_exo -51.66 174.3 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.54 2.16 . . . . 0.0 112.333 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 m -98.13 36.45 1.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -106.91 80.07 0.74 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -26.96 27.15 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.544 2.163 . . . . 0.0 112.322 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.455 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.798 0.333 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.1 ttt -106.14 34.95 3.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -83.64 -64.22 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.8 m -158.92 -43.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.013 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 p 59.0 109.22 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.7 p -88.87 144.03 26.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.66 169.89 33.46 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.78 -27.66 53.68 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.601 2.201 . . . . 0.0 112.365 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.1 t -79.3 -30.38 42.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 m -100.69 136.8 39.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.03 -67.72 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -111.45 -27.33 8.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.8 t -175.08 -39.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.969 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.92 155.91 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.416 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -98.65 145.66 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.839 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -59.29 150.39 63.94 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.81 148.15 38.33 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.677 2.251 . . . . 0.0 112.411 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.27 115.11 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.94 21.1 8.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.427 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.3 m -114.23 132.57 56.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.826 0.345 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.492 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 1.6 t -59.11 133.54 56.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.6 p -102.53 -31.59 10.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.761 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -132.7 144.63 50.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -134.09 116.34 15.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.39 156.62 36.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.7 t -60.1 -33.18 71.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.7 m -82.19 -32.91 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.178 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -177.64 168.44 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.44 -178.71 4.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -119.46 179.95 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.791 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.492 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 5.7 m-85 -149.92 117.13 6.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.173 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.8 t -84.28 134.18 34.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.836 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.707 HG23 ' HB2' ' A' ' 35' ' ' ARG . 3.8 t -95.65 21.18 8.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.062 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.8 26.91 18.77 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.74 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.707 ' HB2' HG23 ' A' ' 33' ' ' THR . 8.2 mtm180 -104.63 -34.28 8.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.1 p -164.44 169.88 16.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.13 -30.11 64.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -65.22 111.6 3.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 74.6 m -67.23 153.52 94.53 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.41 177.39 6.09 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.542 2.161 . . . . 0.0 112.245 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.35 35.93 3.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -147.76 149.67 34.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.2 -27.01 28.39 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.593 2.195 . . . . 0.0 112.335 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.482 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.794 0.331 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.2 tpt -174.05 84.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.12 143.1 56.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 38.0 m -155.16 139.3 16.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -107.53 163.44 13.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.42 132.17 39.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.02 -171.75 42.49 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.55 -27.76 12.64 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.599 2.199 . . . . 0.0 112.362 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.8 t -81.19 -29.58 34.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.3 p -115.13 122.98 47.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -77.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -134.61 6.78 3.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.554 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.3 t -178.08 -52.67 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.817 0.342 . . . . 0.0 111.026 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -84.95 140.72 30.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.02 162.21 16.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -69.68 149.45 96.81 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.38 148.47 33.28 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.634 2.223 . . . . 0.0 112.336 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.91 118.48 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.76 16.26 17.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.601 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.7 m -113.49 112.24 23.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.863 0.363 . . . . 0.0 110.803 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 1.5 t -55.35 153.77 6.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.144 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.3 p -128.25 -44.05 1.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -97.1 161.99 13.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.813 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -178.19 133.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.553 HG22 ' HB3' ' A' ' 28' ' ' SER . 1.5 t -133.77 58.06 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.144 0.497 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.743 ' O ' HG13 ' A' ' 27' ' ' VAL . 3.9 m 54.69 23.06 4.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.787 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.743 HG13 ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -176.85 -49.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.924 0.392 . . . . 0.0 111.448 179.74 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.553 ' HB3' HG22 ' A' ' 25' ' ' THR . 7.2 t -88.73 175.71 7.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.04 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.52 144.43 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.816 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -115.16 114.93 25.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 3.8 m-85 -80.88 125.57 30.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.997 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 57.4 m -75.06 137.26 41.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 t -92.32 13.86 18.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.51 27.72 26.91 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.639 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.0 ttp85 -110.79 -34.49 6.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.77 0.319 . . . . 0.0 110.983 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 m -154.27 172.51 17.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.999 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.6 t -73.97 -28.33 61.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -57.04 149.93 18.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 94.8 m -113.74 88.71 14.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -51.42 177.67 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.557 2.171 . . . . 0.0 112.349 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.5 p -95.25 44.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -106.16 86.04 1.88 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -26.97 27.19 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.581 2.187 . . . . 0.0 112.288 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.497 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.87 0.366 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.2 mtp 60.5 31.71 20.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -137.28 -178.19 5.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.4 m -71.09 -33.7 70.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.504 HG22 ' HB3' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 59.58 97.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.48 120.95 26.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.72 -175.31 41.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.531 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.09 -28.1 24.09 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.564 2.176 . . . . 0.0 112.295 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 54.3 m -74.71 -31.99 62.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.8 m -100.12 127.33 46.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -72.96 -74.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -107.97 -28.41 9.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -169.14 -42.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.31 130.87 35.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.447 HD13 ' HA2' ' A' ' 34' ' ' GLY . 4.5 pp -67.05 165.53 15.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -81.08 159.46 68.13 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.8 145.13 94.69 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.588 2.192 . . . . 0.0 112.326 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.7 113.83 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.87 25.51 4.49 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.526 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.6 m -124.58 147.39 48.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.669 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -65.06 167.81 7.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.3 p -154.89 -44.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.025 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.517 ' CE3' HG22 ' A' ' 25' ' ' THR . 1.3 t90 -83.34 -69.23 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.936 0.398 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.9 tttt 55.4 85.96 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.064 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.517 HG22 ' CE3' ' A' ' 23' ' ' TRP . 8.0 t -143.46 121.31 11.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.39 31.51 20.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.579 ' O ' HG12 ' A' ' 27' ' ' VAL . 14.9 t 70.56 31.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.4 t -144.84 94.5 2.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.561 ' CB ' HG22 ' A' ' 21' ' ' THR . 3.3 p -96.96 174.48 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.423 ' CD2' ' CE3' ' A' ' 23' ' ' TRP . 14.1 m170 -106.89 -26.39 11.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.669 ' CZ ' HG23 ' A' ' 21' ' ' THR . 26.7 m-85 62.67 145.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.52 153.27 21.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.9 p -110.26 20.86 17.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.447 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . 52.17 25.73 18.9 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.746 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -112.05 -33.79 6.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.0 t -147.0 173.41 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.504 ' HB3' HG22 ' A' ' 5' ' ' THR . 2.3 t -96.04 10.81 36.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.213 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -115.55 107.1 14.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.812 0.339 . . . . 0.0 110.843 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.9 m -57.99 109.33 1.72 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.18 172.96 11.15 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.397 2.065 . . . . 0.0 112.326 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.7 t -85.38 57.31 4.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -141.15 87.3 10.8 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.9 -174.72 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.577 2.185 . . . . 0.0 112.311 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.521 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.853 0.358 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.3 ptm -137.73 80.5 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 4' ' ' CYS . 8.8 m-20 -144.77 164.32 31.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 3' ' ' ASP . 38.2 m 66.15 -66.87 0.16 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.25 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.468 HG22 ' HB2' ' A' ' 37' ' ' CYS . 98.0 m 63.33 144.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.676 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 p -105.2 157.58 17.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.06 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.44 160.7 10.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.388 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -51.36 -24.76 16.69 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.574 2.183 . . . . 0.0 112.478 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 t -80.46 -34.51 35.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.4 m -107.62 125.56 51.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.001 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -74.62 -71.49 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.806 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -112.8 -26.14 8.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.2 t -174.01 -40.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -58.36 172.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.506 HD22 ' HA2' ' A' ' 34' ' ' GLY . 0.8 OUTLIER -128.16 126.88 41.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.404 ' N ' HD23 ' A' ' 15' ' ' LEU . 28.5 mttm -57.98 162.45 5.43 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.965 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.52 146.18 73.19 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.568 2.179 . . . . 0.0 112.368 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.95 160.57 5.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.068 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.35 24.44 59.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.554 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.8 m -119.84 131.3 55.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.358 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 9.7 t -58.48 149.17 25.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.5 p -123.81 -41.46 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -77.71 -66.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.0 tttt 60.96 79.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.46 172.28 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.4 m -91.57 59.68 3.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.44 -38.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.69 122.87 1.02 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.6 p -97.21 157.94 15.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -125.09 120.22 30.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.763 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 2.7 m-85 -83.47 120.05 25.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.9 t -76.6 138.25 40.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.5 p -93.53 15.89 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.201 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.506 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . 50.44 26.19 9.58 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.771 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.9 -36.07 8.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.988 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.2 t -159.02 165.92 32.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.468 ' HB2' HG22 ' A' ' 5' ' ' THR . 8.0 m -71.92 -29.04 63.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -69.9 89.3 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 97.9 m -59.1 149.1 68.75 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.11 178.25 4.35 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.533 2.155 . . . . 0.0 112.241 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 m -101.05 -31.29 11.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 32.7 p90 -82.84 148.69 58.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.7 176.35 7.61 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.562 2.174 . . . . 0.0 112.286 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.523 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.874 0.369 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -175.88 -46.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -151.5 35.27 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -146.44 116.99 7.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 p -72.95 116.68 13.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.6 p -109.3 172.03 7.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.45 171.99 14.75 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.68 -27.85 35.18 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.558 2.172 . . . . 0.0 112.305 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.93 35.84 2.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.1 m -155.25 125.29 6.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -59.26 -31.58 69.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.969 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 165.75 -29.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.276 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 91.7 m -134.48 -45.89 0.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -86.28 169.87 12.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -128.75 144.98 51.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -59.67 153.85 49.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.72 147.74 86.13 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.579 2.186 . . . . 0.0 112.37 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.532 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -57.39 114.8 2.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.43 15.63 7.51 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.68 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.445 HG22 ' N ' ' A' ' 21' ' ' THR . 67.1 m -100.01 161.99 13.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 0.0 110.828 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.445 ' N ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER -99.32 118.45 36.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.2 p -102.29 -43.28 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -114.83 151.57 33.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -179.22 109.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.503 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.1 m -155.69 60.96 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.984 0.421 . . . . 0.0 111.009 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.9 m 45.95 30.0 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.47 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 25' ' ' THR . 8.7 m -117.61 -40.4 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.182 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.89 -37.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t 65.02 96.51 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -78.99 175.78 10.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -135.12 172.73 12.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.43 131.46 42.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.4 18.39 12.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.532 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 49.92 26.51 8.54 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.758 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -119.45 -40.44 2.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 111.071 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -148.83 168.68 22.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.01 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.9 m -74.96 -28.92 60.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -63.8 143.27 57.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.8 m -95.05 148.27 34.4 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.73 151.18 63.37 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.586 2.191 . . . . 0.0 112.295 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -63.27 -31.68 72.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -105.84 156.07 37.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.86 -27.09 26.41 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.561 2.174 . . . . 0.0 112.306 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.378 -1.235 . . . . 0.0 112.47 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.864 0.364 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 30.6 mtm -152.65 165.05 36.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.51 34.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.0 m -107.43 119.67 40.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.19 150.31 21.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.6 p -103.64 152.0 22.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.66 166.33 13.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.542 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.53 -21.57 31.33 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.66 2.24 . . . . 0.0 112.56 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.6 36.0 1.43 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.12 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 p -178.3 122.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.837 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -59.51 -80.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -136.52 7.7 3.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.582 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -178.47 -47.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -73.35 157.09 37.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.436 HD11 ' C ' ' A' ' 36' ' ' SER . 0.9 OUTLIER -119.63 136.25 54.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -56.94 148.97 46.84 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.28 144.3 39.8 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.588 2.192 . . . . 0.0 112.337 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.714 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -62.39 107.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.34 28.03 3.43 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.7 m -109.9 150.74 27.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.763 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -80.79 137.33 36.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.9 p -127.35 -45.25 1.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -94.64 147.76 22.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -169.08 92.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.57 ' O ' HG23 ' A' ' 25' ' ' THR . 10.0 t -96.43 74.12 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 78.06 -56.56 0.49 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.059 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 28' ' ' SER . 11.3 p -133.05 -44.77 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.173 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.525 ' HB3' HG22 ' A' ' 25' ' ' THR . 0.3 OUTLIER -69.74 115.53 9.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.876 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.3 p -128.69 143.72 51.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -108.16 -179.4 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.763 ' CZ ' HG23 ' A' ' 21' ' ' THR . 20.0 m-85 -139.96 171.64 13.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.7 m -117.03 152.54 34.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.518 HG23 ' HB2' ' A' ' 35' ' ' ARG . 10.1 t -111.82 20.72 16.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.97 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.714 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 51.19 32.6 29.05 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.645 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.518 ' HB2' HG23 ' A' ' 33' ' ' THR . 7.0 mtt180 -113.23 -35.3 5.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.758 0.313 . . . . 0.0 111.061 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.436 ' C ' HD11 ' A' ' 15' ' ' LEU . 27.4 t -152.8 172.51 16.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.046 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.7 m -72.26 -29.69 64.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -58.49 158.67 7.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.0 m -114.51 87.3 13.84 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.13 172.56 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.551 2.167 . . . . 0.0 112.271 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.7 m -97.75 40.1 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -106.79 81.79 0.95 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.89 -167.99 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.59 2.193 . . . . 0.0 112.287 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.506 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.848 0.356 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 25.0 mtt -134.88 177.2 7.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.32 -78.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.4 m 60.73 156.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.454 HG22 ' HB2' ' A' ' 37' ' ' CYS . 87.1 m -147.23 151.27 36.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.2 p -104.83 156.54 17.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.41 167.25 12.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.551 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.68 -25.06 48.88 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.641 2.227 . . . . 0.0 112.492 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.0 t -95.21 41.81 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.1 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.2 p 178.37 139.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 ttt85 -74.93 -79.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -134.66 7.11 3.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.499 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -179.78 -42.21 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.867 0.365 . . . . 0.0 110.773 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -90.51 138.22 31.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.8 152.19 19.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -58.81 151.94 51.07 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -55.52 149.65 46.84 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.63 2.22 . . . . 0.0 112.381 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.28 119.14 5.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.066 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.16 22.5 12.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.6 m -110.68 127.71 55.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.92 0.39 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -58.28 165.19 2.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.972 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 p -156.95 30.27 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.514 ' CH2' HG21 ' A' ' 25' ' ' THR . 2.0 t90 -144.28 -67.48 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? 56.77 76.24 0.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.041 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.514 HG21 ' CH2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -94.31 71.04 3.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 78.04 -56.53 0.49 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.033 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.479 HG13 ' N ' ' A' ' 28' ' ' SER . 11.4 p -133.7 -44.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.196 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.479 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -75.39 175.77 8.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.967 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.98 158.31 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.402 ' CD2' ' CE3' ' A' ' 23' ' ' TRP . 13.6 m170 -107.99 105.1 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -70.79 115.87 10.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.0 t -68.09 157.25 35.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.6 p -104.24 17.81 23.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.29 27.38 16.07 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.74 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -113.16 -68.83 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.984 0.421 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.57 164.02 13.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.454 ' HB2' HG22 ' A' ' 5' ' ' THR . 19.6 m -71.6 -29.08 64.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -67.84 120.41 14.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 81.4 m -71.89 147.37 91.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.96 131.75 18.73 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.542 2.161 . . . . 0.0 112.338 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.6 t -60.17 -31.5 70.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 32.7 p90 -93.83 151.35 39.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.87 130.26 18.9 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.615 2.21 . . . . 0.0 112.324 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.508 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.764 0.316 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -160.47 31.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.83 168.72 9.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.2 m -106.25 -30.63 9.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.425 HG23 ' HB2' ' A' ' 37' ' ' CYS . 3.2 t 43.1 73.58 0.14 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.51 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.8 m -64.55 131.93 48.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.11 179.34 44.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.526 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.26 -39.44 72.11 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.595 2.197 . . . . 0.0 112.286 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.53 40.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.47 131.11 25.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.81 56.45 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.806 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 74.58 3.87 4.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.555 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 170.9 -51.61 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.82 0.343 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -77.56 157.68 30.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.495 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -97.88 138.73 34.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.963 -179.885 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -61.33 159.73 28.73 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.878 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.73 144.52 84.14 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.558 2.172 . . . . 0.0 112.257 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 161.91 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.144 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.35 24.09 58.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.563 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.7 m -116.58 139.08 50.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.325 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.631 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -75.98 145.27 40.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.5 p -120.04 -41.06 2.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -80.02 -67.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 tttt 58.64 86.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.455 HG22 ' H ' ' A' ' 26' ' ' SER . 1.1 m -125.19 172.17 9.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.455 ' H ' HG22 ' A' ' 25' ' ' THR . 0.8 OUTLIER -89.75 52.93 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.46 -38.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.187 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.5 m -167.2 134.2 2.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.4 p -130.02 161.25 31.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -124.76 159.53 30.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.631 ' CZ ' HG23 ' A' ' 21' ' ' THR . 77.1 m-85 -120.49 161.53 21.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.49 157.04 17.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.7 p -107.93 15.22 24.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.208 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.36 48.16 54.83 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.706 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.416 ' C ' HD13 ' A' ' 15' ' ' LEU . 8.9 ttm-85 -157.23 -45.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.387 . . . . 0.0 111.02 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.07 172.41 6.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.425 ' HB2' HG23 ' A' ' 5' ' ' THR . 13.7 m -120.47 28.27 8.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -126.93 110.91 13.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.4 m -57.58 109.7 1.96 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -51.65 177.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.477 2.118 . . . . 0.0 112.288 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -99.62 32.33 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -161.34 148.86 12.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.56 -178.56 2.71 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.529 2.152 . . . . 0.0 112.327 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.488 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.818 0.342 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.37 34.17 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -105.92 100.35 9.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.8 m -80.06 111.76 16.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.69 HG23 ' SG ' ' A' ' 37' ' ' CYS . 2.2 t -91.95 137.76 32.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.86 157.17 16.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.91 -176.07 32.74 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.522 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.56 -26.07 20.29 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.594 2.196 . . . . 0.0 112.435 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.22 40.98 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.011 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 p -177.22 132.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -67.61 -80.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -136.85 7.87 2.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.601 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -175.84 -46.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.784 0.326 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -86.16 160.84 19.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.54 150.78 37.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -58.43 158.4 14.94 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.94 143.41 40.03 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.564 2.176 . . . . 0.0 112.362 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.702 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -60.23 116.58 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.84 27.72 7.76 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.53 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.404 HG22 ' N ' ' A' ' 21' ' ' THR . 7.1 m -109.84 165.05 12.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.92 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -85.24 150.98 24.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.8 p -143.87 -46.94 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.441 ' CH2' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -75.84 162.63 27.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.85 97.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.441 ' CG2' ' CH2' ' A' ' 23' ' ' TRP . 4.1 t -161.19 138.33 8.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 59.98 30.08 19.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.576 ' O ' HG12 ' A' ' 27' ' ' VAL . 14.3 t 70.22 30.61 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.955 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -138.03 145.41 41.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.8 m -142.82 172.67 12.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -128.33 173.93 9.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.92 ' CE1' HG23 ' A' ' 21' ' ' THR . 5.3 m-85 -125.75 142.61 51.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 55.8 m -92.09 166.2 12.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.462 HG23 ' HG3' ' A' ' 35' ' ' ARG . 10.2 t -119.64 26.1 9.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.973 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.702 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 55.93 32.44 59.34 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.613 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.462 ' HG3' HG23 ' A' ' 33' ' ' THR . 7.1 mtt180 -112.21 -68.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.983 0.421 . . . . 0.0 110.963 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 m -131.54 172.7 11.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.69 ' SG ' HG23 ' A' ' 5' ' ' THR . 67.7 m -71.98 -31.1 65.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.52 97.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.3 m -58.47 109.98 2.25 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.37 177.36 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.444 2.096 . . . . 0.0 112.309 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -99.09 36.05 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -115.49 82.78 10.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.17 95.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.595 2.197 . . . . 0.0 112.316 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.426 ' HA2' ' CG ' ' A' ' 31' ' ' TYR . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.352 -1.249 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.838 0.351 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.5 ttm -176.07 -40.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -90.45 160.73 15.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -93.26 138.16 31.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.553 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -93.25 112.11 23.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 t -143.0 157.26 44.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.82 -155.04 25.67 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.84 -26.72 26.93 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.599 2.199 . . . . 0.0 112.373 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 t -117.45 29.71 7.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.994 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.5 m -153.21 157.11 39.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.5 ttm-85 -126.89 101.78 6.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.789 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 65.68 -76.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.1 m -146.91 31.19 0.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -140.8 113.76 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.56 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.4 pp -79.05 152.03 31.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.56 ' O ' HD12 ' A' ' 15' ' ' LEU . 22.2 mttt -66.42 162.86 45.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -65.12 145.64 85.12 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.603 2.202 . . . . 0.0 112.367 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.42 113.67 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.055 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.2 22.98 5.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.568 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.55 HG21 ' HD3' ' A' ' 16' ' ' LYS . 11.4 m -96.97 164.37 12.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.665 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -108.67 108.04 18.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.883 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.4 p -94.03 -36.34 12.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.13 122.68 45.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -143.99 31.99 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.549 HG23 ' H ' ' A' ' 28' ' ' SER . 7.4 t -65.15 170.14 4.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 m -68.27 -26.75 65.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.044 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -72.78 -33.83 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.113 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.549 ' H ' HG23 ' A' ' 25' ' ' THR . 0.4 OUTLIER -178.09 -169.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.3 p -159.15 149.4 19.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -138.82 170.95 15.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.665 ' CZ ' HG23 ' A' ' 21' ' ' THR . 13.2 m-85 -131.74 172.1 12.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -114.96 151.39 34.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.8 p -104.93 20.86 18.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . 55.0 35.23 58.89 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.684 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.4 mmp_? -156.0 36.92 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.756 0.313 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.4 p -175.95 166.37 3.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.553 ' SG ' HG22 ' A' ' 5' ' ' THR . 93.8 m -118.85 27.42 8.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -147.66 132.34 17.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.9 m -65.07 148.23 97.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.17 177.47 5.83 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.572 2.181 . . . . 0.0 112.272 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.64 -31.44 12.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' A' ' 42' ' ' TYR . 40.9 p90 -91.05 110.07 39.67 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.92 -170.81 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.492 2.128 . . . . 0.0 112.296 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.396 -1.225 . . . . 0.0 112.484 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.843 0.354 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.0 tpt 60.6 83.45 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -74.92 95.37 2.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 76.7 m -152.11 110.19 3.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.429 HG22 ' N ' ' A' ' 6' ' ' THR . 96.2 m -95.97 162.17 13.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.743 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.429 ' N ' HG22 ' A' ' 5' ' ' THR . 0.2 OUTLIER -113.72 155.82 24.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.967 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.02 172.34 27.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.553 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -62.55 -30.0 78.97 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.638 2.225 . . . . 0.0 112.269 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.9 t -98.55 37.36 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.712 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.33 117.37 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.815 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -80.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -117.51 -19.48 9.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.396 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.2 t -169.59 -40.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.785 0.326 . . . . 0.0 111.023 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 pttt -78.12 139.37 39.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.571 HD12 ' HA2' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -99.53 148.21 24.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -57.38 161.83 5.16 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.986 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.04 145.33 33.92 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.595 2.197 . . . . 0.0 112.405 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.703 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -69.22 108.79 3.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.52 28.09 3.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.6 t -123.57 164.12 19.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.34 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.426 HG22 ' HB2' ' A' ' 29' ' ' SER . 0.0 OUTLIER -78.79 155.01 29.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.807 179.829 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.1 p -151.34 -46.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.538 ' CE2' HG23 ' A' ' 25' ' ' THR . 17.5 t90 -82.08 -80.6 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.022 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt 60.76 116.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.074 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.538 HG23 ' CE2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -113.23 56.84 0.68 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.213 0.53 . . . . 0.0 110.949 179.888 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m 55.29 21.77 4.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.693 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.489 HG13 ' N ' ' A' ' 28' ' ' SER . 14.7 p -179.48 -45.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.798 0.333 . . . . 0.0 111.495 179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.489 ' N ' HG13 ' A' ' 27' ' ' VAL . 48.0 t -121.21 127.84 51.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.426 ' HB2' HG22 ' A' ' 21' ' ' THR . 70.7 p -125.66 148.5 48.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -105.56 109.24 21.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.775 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -58.17 147.02 31.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -83.1 142.04 31.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 t -90.22 5.29 47.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.259 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.703 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 52.72 27.53 28.05 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.697 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.4 ttt85 -114.49 -36.16 4.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.797 0.332 . . . . 0.0 111.04 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m -133.04 170.33 15.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.975 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.3 m -72.16 -29.0 63.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -89.14 159.09 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.9 m -90.77 148.82 39.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.63 177.44 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.568 2.179 . . . . 0.0 112.273 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.2 t -118.51 31.48 6.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -158.89 150.56 16.95 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.93 91.6 0.53 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.609 2.206 . . . . 0.0 112.337 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.377 -1.235 . . . . 0.0 112.51 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.825 0.345 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 9.6 ttt -161.24 123.76 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -135.28 173.7 11.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.4 m -67.32 108.82 2.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.89 155.29 16.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.721 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.23 168.29 9.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.948 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.27 178.0 15.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.396 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -78.47 53.94 4.79 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.681 2.254 . . . . 0.0 112.548 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER 177.93 37.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.836 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 m -163.85 96.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.017 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -64.53 82.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.491 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 77.13 -59.9 0.47 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.1 t -140.16 -41.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.207 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -69.54 127.02 31.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.981 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.65 HD12 ' HA2' ' A' ' 34' ' ' GLY . 0.7 OUTLIER -89.0 150.35 22.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -61.77 154.08 68.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -62.55 146.34 95.43 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.593 2.195 . . . . 0.0 112.303 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.89 111.5 1.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.07 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.32 23.61 4.76 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.61 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 21' ' ' THR . 8.5 m -99.86 164.81 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 110.818 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.746 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -110.9 122.36 47.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.834 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.3 p -111.57 -44.88 3.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -92.67 156.63 16.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -176.69 79.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.9 p -90.7 71.82 6.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 77.95 -56.52 0.49 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.065 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 28' ' ' SER . 11.4 p -128.72 -43.77 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.47 ' N ' HG13 ' A' ' 27' ' ' VAL . 13.6 t -73.89 108.6 6.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.1 p -133.25 88.22 2.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.429 ' CD2' ' HG3' ' A' ' 43' ' ' PRO . 15.5 m170 -60.47 178.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.746 ' CZ ' HG23 ' A' ' 21' ' ' THR . 22.1 m-85 -138.31 161.81 35.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 67.3 m -99.25 134.89 41.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.7 p -97.08 23.47 7.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.085 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.65 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 53.88 26.93 35.21 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.647 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -104.9 -34.06 8.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 110.938 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -155.22 161.07 41.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.8 m -71.83 -27.01 62.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -78.81 117.62 20.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.9 m -59.67 149.39 71.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.05 177.45 5.77 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.59 2.193 . . . . 0.0 112.316 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -130.22 31.67 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.402 ' O ' ' CD2' ' A' ' 42' ' ' TYR . 15.6 p90 -149.13 87.6 5.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.429 ' HG3' ' CD2' ' A' ' 30' ' ' HIS . 54.2 Cg_exo -52.06 98.11 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.596 2.198 . . . . 0.0 112.317 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.509 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.4 ttp -107.08 92.83 4.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -138.6 150.04 45.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.3 m -103.9 -179.82 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.2 p -70.8 99.26 1.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.93 109.48 21.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.36 -173.02 44.18 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.54 -25.54 10.94 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.657 2.238 . . . . 0.0 112.569 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.03 42.05 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.095 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.8 p -176.78 127.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.038 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.46 -164.39 1.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.765 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.81 95.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.197 0.522 . . . . 0.0 111.088 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.7 m 56.91 59.86 3.29 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.032 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -176.79 142.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.431 ' C ' HD12 ' A' ' 15' ' ' LEU . 4.6 pp -105.16 165.44 11.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.494 ' HD3' HG21 ' A' ' 20' ' ' THR . 23.7 mttm -83.43 154.15 65.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.74 146.84 79.98 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.606 2.204 . . . . 0.0 112.371 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.627 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -60.19 115.92 3.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.011 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.42 19.01 6.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.653 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.494 HG21 ' HD3' ' A' ' 16' ' ' LYS . 4.5 m -100.65 166.11 11.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.34 . . . . 0.0 110.845 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.619 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -107.82 119.01 38.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.781 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.1 p -96.45 -40.57 9.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.008 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.49 48.22 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.034 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -68.46 71.81 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.459 HG22 ' H ' ' A' ' 26' ' ' SER . 1.3 m -100.61 171.07 7.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.459 ' H ' HG22 ' A' ' 25' ' ' THR . 3.4 m -78.04 -5.45 51.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.414 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -101.39 -36.36 4.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.837 0.351 . . . . 0.0 111.181 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.69 -175.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.9 p -154.3 155.91 36.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -109.86 -32.06 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.619 ' CE2' HG23 ' A' ' 21' ' ' THR . 37.8 m-85 60.37 167.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.847 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -127.3 140.84 51.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.451 HG23 ' HG3' ' A' ' 35' ' ' ARG . 3.9 t -106.27 23.31 14.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.627 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 57.65 26.69 57.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.584 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.451 ' HG3' HG23 ' A' ' 33' ' ' THR . 34.4 mtt180 -100.5 -33.04 10.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -172.2 170.27 5.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.3 t -71.86 -29.42 64.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -72.7 107.28 5.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -68.57 146.08 97.49 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.62 165.72 31.92 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.508 2.139 . . . . 0.0 112.307 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -107.64 66.66 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -160.85 87.3 1.74 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.0 155.58 64.8 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.536 2.157 . . . . 0.0 112.303 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.463 -179.993 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.893 0.377 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.8 tpp -106.27 -40.02 5.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.59 158.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.4 m -88.52 -33.6 17.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.25 158.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 p -129.8 141.97 50.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.8 -170.87 37.61 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.529 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.57 -41.47 3.23 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.879 2.386 . . . . 0.0 112.359 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.7 t -65.15 -24.69 67.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.367 -179.676 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.0 p -120.48 119.48 33.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.97 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -57.35 -76.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -132.91 6.28 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.48 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 177.45 -53.13 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.97 148.08 27.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.675 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.2 pp -107.03 151.6 25.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.675 ' O ' HD12 ' A' ' 15' ' ' LEU . 23.4 mttt -59.85 159.44 19.61 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.923 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.98 148.02 90.58 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.403 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.07 111.23 1.24 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.104 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.94 23.42 4.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.604 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -110.11 154.65 22.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.803 0.335 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.726 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -92.32 118.17 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.7 p -94.53 -40.55 9.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -103.38 125.28 49.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.08 35.19 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.468 HG22 ' H ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -60.2 172.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.54 ' O ' HG13 ' A' ' 27' ' ' VAL . 2.3 t -91.55 50.61 1.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 26' ' ' SER . 5.9 m -158.89 -44.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -164.89 131.43 2.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.7 p -108.69 152.16 25.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.485 ' O ' HG22 ' A' ' 21' ' ' THR . 15.0 m-70 -130.54 172.63 11.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.726 ' CZ ' HG23 ' A' ' 21' ' ' THR . 53.5 m-85 -132.81 159.74 38.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.02 145.21 29.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.806 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.627 HG23 ' HB2' ' A' ' 35' ' ' ARG . 10.0 t -105.71 23.53 13.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.078 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.403 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 52.69 25.9 23.18 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.738 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.627 ' HB2' HG23 ' A' ' 33' ' ' THR . 3.6 mtp85 -100.15 -33.63 10.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.4 t -167.76 172.38 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.2 t -72.07 -30.98 65.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -67.08 109.64 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 97.7 m -67.04 149.22 98.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.58 176.61 7.16 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.574 2.182 . . . . 0.0 112.309 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.402 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 23.0 m -116.76 31.62 6.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -114.38 87.52 13.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.76 90.59 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.517 2.144 . . . . 0.0 112.325 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.466 -1.185 . . . . 0.0 112.474 -179.976 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.808 0.337 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.2 ptp -133.58 91.15 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 60.37 83.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.1 m -60.64 111.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.42 HG22 ' H ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -96.81 172.29 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.42 ' H ' HG22 ' A' ' 5' ' ' THR . 0.8 OUTLIER -117.6 96.02 5.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.15 162.49 28.61 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.84 60.7 3.68 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.593 2.195 . . . . 0.0 112.39 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 179.45 39.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.806 179.879 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.739 ' SG ' HD22 ' A' ' 15' ' ' LEU . 52.2 m -149.99 161.56 42.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -95.94 43.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.814 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 72.95 6.17 5.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.547 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -178.95 -39.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.862 0.363 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -84.92 170.08 13.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.739 HD22 ' SG ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -112.31 125.68 54.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -60.17 159.5 21.47 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -64.25 144.62 86.92 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.581 2.187 . . . . 0.0 112.295 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.76 162.69 3.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.087 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.84 24.03 57.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.607 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.3 m -112.34 114.56 27.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.843 0.354 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -59.76 168.34 1.77 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 p -140.37 -46.92 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -87.52 150.68 23.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -179.02 86.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.665 HG23 HG22 ' A' ' 27' ' ' VAL . 9.4 t -130.32 61.9 1.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.998 0.428 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.5 p 49.73 34.86 7.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.32 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.665 HG22 HG23 ' A' ' 25' ' ' THR . 5.7 m -140.38 -48.68 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.244 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.433 ' N ' HG23 ' A' ' 27' ' ' VAL . 0.3 OUTLIER 179.23 -173.28 0.18 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.958 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.59 149.13 35.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -109.97 107.89 17.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -72.08 111.42 7.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 83.7 m -70.38 141.79 52.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.756 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 t -94.69 17.56 13.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.234 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.71 26.34 10.52 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.739 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -104.41 -33.71 8.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.994 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.582 ' C ' HD11 ' A' ' 15' ' ' LEU . 3.8 p -153.75 172.5 17.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 75.3 m -72.14 -30.8 65.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -59.64 142.93 51.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.1 m -102.86 92.41 3.54 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.54 165.23 28.01 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.496 2.13 . . . . 0.0 112.285 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.5 m -85.15 57.23 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -117.24 71.25 6.14 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.05 178.84 4.34 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.592 2.194 . . . . 0.0 112.311 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.414 -1.215 . . . . 0.0 112.487 179.941 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.825 0.345 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -105.56 36.02 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 60.77 157.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.8 m -108.04 114.78 28.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 p -75.57 115.07 14.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.3 p -104.98 133.09 50.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.67 -163.98 36.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.51 -30.64 6.27 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.595 2.196 . . . . 0.0 112.581 -179.855 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.3 t -97.65 26.19 5.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.196 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.6 m -146.06 142.72 28.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.926 179.835 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.99 54.25 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.848 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 73.04 5.62 5.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.604 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.8 t -177.97 -58.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.798 0.333 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -82.84 135.27 35.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.6 pp -94.6 149.64 21.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.489 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -66.34 157.1 83.36 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.62 145.8 91.9 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.56 2.174 . . . . 0.0 112.351 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.813 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.34 121.74 12.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.153 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.9 23.71 9.08 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.598 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.4 m -126.65 148.62 49.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.455 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -59.57 163.54 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.8 p -154.68 -46.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -102.89 79.7 1.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -82.96 119.57 24.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.443 HG22 ' H ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -124.74 172.4 9.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.443 ' H ' HG22 ' A' ' 25' ' ' THR . 2.9 p -92.86 48.73 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -178.45 -38.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -161.61 128.57 3.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.5 p -118.1 142.11 47.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -100.35 176.98 5.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.455 ' CZ ' HG23 ' A' ' 21' ' ' THR . 11.3 m-85 -125.8 172.4 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.03 145.12 40.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.706 HG23 ' HB2' ' A' ' 35' ' ' ARG . 3.6 t -105.84 20.37 19.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.813 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 53.46 24.62 24.39 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.796 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.706 ' HB2' HG23 ' A' ' 33' ' ' THR . 31.5 mtt-85 -110.93 -33.8 6.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.29 171.03 21.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.835 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.9 -29.64 64.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.81 148.24 30.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.6 m -112.92 90.13 14.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -51.05 177.63 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.561 2.174 . . . . 0.0 112.353 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 p -97.05 39.68 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -106.84 79.14 0.63 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.8 -177.25 1.8 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.575 2.184 . . . . 0.0 112.302 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.367 -1.24 . . . . 0.0 112.454 179.988 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.846 0.355 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.5 tpt 60.47 79.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -98.36 132.12 44.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.9 m -97.44 -37.16 10.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.607 HG22 ' HB2' ' A' ' 37' ' ' CYS . 15.0 m 63.44 133.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.76 154.65 20.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.41 168.07 17.3 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.53 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -55.61 -23.15 38.77 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.655 2.237 . . . . 0.0 112.47 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.8 t -97.48 30.6 2.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.048 -179.782 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.8 p -179.26 126.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.825 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 mtm180 -80.98 -76.27 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -112.76 -21.01 11.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.265 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -178.21 -36.95 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.815 0.341 . . . . 0.0 111.075 -179.857 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -78.54 97.94 5.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.962 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 pp -71.86 147.83 46.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -56.25 147.22 48.17 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.016 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.32 145.64 44.11 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.584 2.189 . . . . 0.0 112.311 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.32 103.26 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.012 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.94 30.5 2.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 m -120.49 152.48 37.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.536 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -63.67 166.51 6.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.7 p -157.49 -45.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.447 ' CZ2' ' CG2' ' A' ' 25' ' ' THR . 7.0 t90 -111.51 146.88 36.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.59 105.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.447 ' CG2' ' CZ2' ' A' ' 23' ' ' TRP . 75.0 p -102.68 74.03 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 78.07 -56.46 0.49 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 28' ' ' SER . 11.4 p -133.12 -44.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.204 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.473 ' N ' HG13 ' A' ' 27' ' ' VAL . 2.6 m -71.36 116.07 11.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 t -133.63 144.24 49.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.427 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 58.5 m170 -111.48 176.17 5.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.536 ' CZ ' HG23 ' A' ' 21' ' ' THR . 14.6 m-85 -130.09 156.26 44.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.3 t -100.25 142.95 31.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.806 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.634 HG23 ' HB2' ' A' ' 35' ' ' ARG . 9.0 t -103.36 21.32 16.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.157 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.36 26.62 14.58 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.724 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.634 ' HB2' HG23 ' A' ' 33' ' ' THR . 13.2 mtt85 -98.06 -33.4 11.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -165.95 173.13 10.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.607 ' HB2' HG22 ' A' ' 5' ' ' THR . 42.6 m -71.37 -30.46 66.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -74.76 94.2 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.61 154.36 56.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -69.03 143.67 55.21 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.541 2.16 . . . . 0.0 112.287 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.427 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 56.0 p -98.3 35.6 1.75 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -146.05 158.54 48.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.18 128.08 25.98 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.545 2.163 . . . . 0.0 112.351 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.513 -179.996 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.828 0.347 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.5 tpt -152.17 -46.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.24 89.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.8 m 60.97 112.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.88 163.74 13.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.97 123.22 44.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.8 166.21 35.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.549 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.94 -23.54 21.61 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.578 2.186 . . . . 0.0 112.423 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.2 t -97.21 29.53 3.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.023 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.4 m -161.51 121.02 2.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.829 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -69.45 -80.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -127.9 -3.04 5.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.628 -179.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 178.61 -38.34 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -75.08 168.34 20.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.951 -179.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.704 HD11 ' C ' ' A' ' 36' ' ' SER . 4.4 tt -120.21 138.63 53.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.502 ' O ' HD23 ' A' ' 15' ' ' LEU . 18.3 mmtt -58.89 149.15 66.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -52.99 143.58 49.13 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.565 2.176 . . . . 0.0 112.342 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.14 105.82 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.069 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.31 29.02 2.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.567 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.9 m -116.62 152.4 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.329 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.649 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -76.26 129.7 37.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -119.7 -40.93 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -100.83 165.62 11.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.47 93.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 m -104.22 63.98 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t 77.83 -56.55 0.5 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.086 -179.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 28' ' ' SER . 12.3 p -123.48 -41.36 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.162 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 27' ' ' VAL . 5.2 t -76.1 108.74 9.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.37 79.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -61.23 152.26 29.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.649 ' CZ ' HG23 ' A' ' 21' ' ' THR . 30.6 m-85 -111.28 171.08 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.21 143.62 36.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.817 HG23 ' HB2' ' A' ' 35' ' ' ARG . 10.3 t -105.81 22.97 14.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.518 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . 53.4 30.15 40.27 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.643 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.817 ' HB2' HG23 ' A' ' 33' ' ' THR . 3.6 ttp180 -102.56 -35.4 8.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.341 . . . . 0.0 110.967 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.704 ' C ' HD11 ' A' ' 15' ' ' LEU . 2.8 m -166.3 172.31 11.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.949 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.6 m -72.13 -31.09 65.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -69.87 113.63 7.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.2 m -60.53 149.23 78.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.09 177.46 5.78 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.583 2.189 . . . . 0.0 112.3 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.9 p -126.63 32.25 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -158.62 87.22 2.31 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.16 126.7 21.1 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.501 2.134 . . . . 0.0 112.352 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.358 -1.246 . . . . 0.0 112.449 -179.936 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.832 0.349 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.0 mtt 60.4 -174.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -130.8 118.92 21.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 67.7 m -78.86 127.76 32.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.2 p -101.67 118.41 36.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -90.61 156.82 17.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.41 162.46 10.91 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.26 -28.07 41.01 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.625 2.216 . . . . 0.0 112.246 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 t -101.97 34.3 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 m -150.71 146.49 26.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -93.0 49.06 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.818 179.849 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.46 5.47 4.98 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.532 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.1 t -177.14 -52.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.803 0.335 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -74.27 156.93 36.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.94 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.445 HD11 ' CA ' ' A' ' 36' ' ' SER . 1.2 tt -117.21 136.25 53.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' O ' HD23 ' A' ' 15' ' ' LEU . 28.3 mttm -64.87 154.2 86.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.64 144.25 71.48 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.569 2.179 . . . . 0.0 112.332 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.429 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -62.7 119.9 10.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.33 22.98 7.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.538 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.0 m -125.11 129.72 50.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.795 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -59.91 156.5 14.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.4 p -131.44 -44.3 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -70.64 -74.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.016 -179.82 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 tttt 45.13 92.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.339 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.6 p -127.75 56.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.14 0.495 . . . . 0.0 111.088 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.2 p 44.89 27.22 0.25 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.925 179.541 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 50.0 t -156.82 -67.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.989 0.423 . . . . 0.0 110.941 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -126.58 147.66 49.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.408 ' HB2' ' CG2' ' A' ' 21' ' ' THR . 0.9 OUTLIER -140.29 145.18 36.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.949 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.475 ' O ' HG22 ' A' ' 21' ' ' THR . 9.9 m170 -95.74 -169.44 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.801 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.448 ' CE2' HG23 ' A' ' 21' ' ' THR . 30.9 m-85 -145.03 132.49 20.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.77 133.57 33.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.819 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.8 p -94.92 18.91 11.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.429 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 50.48 26.72 10.41 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.751 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -115.18 -37.51 4.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.824 0.345 . . . . 0.0 111.012 -179.885 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.445 ' CA ' HD11 ' A' ' 15' ' ' LEU . 18.1 p -150.11 162.96 39.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.2 m -72.1 -28.13 63.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.949 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -61.4 126.11 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 86.4 m -86.99 148.48 45.46 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.81 142.39 43.2 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.614 2.209 . . . . 0.0 112.299 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.4 p -98.3 35.91 1.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.428 ' CD2' ' N ' ' A' ' 42' ' ' TYR . 2.4 p90 -156.25 84.9 3.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.98 160.12 50.8 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.596 2.197 . . . . 0.0 112.283 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.43 -1.205 . . . . 0.0 112.503 179.93 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.784 0.326 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.9 mtt 61.07 155.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 t70 60.46 77.64 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.6 m -111.39 -33.92 6.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.75 78.71 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.4 p -75.4 107.24 7.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.44 -164.98 11.76 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.63 -26.87 15.91 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.555 2.17 . . . . 0.0 112.473 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.1 29.49 3.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.075 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.2 m -145.17 115.14 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 14.5 ptm180 -59.31 -21.64 60.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.204 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 48.2 tt0 174.88 -29.05 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.326 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.0 t -162.55 -44.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -73.68 119.21 17.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.613 HD11 ' C ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -69.3 143.46 53.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.953 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -64.07 149.14 94.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.6 145.43 59.01 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.607 2.205 . . . . 0.0 112.277 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.404 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.78 107.41 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.025 179.86 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.68 26.36 3.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 21' ' ' THR . 26.2 m -104.16 163.32 12.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.312 . . . . 0.0 110.762 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.692 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -95.81 120.22 35.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.895 -179.85 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.1 p -106.08 -37.12 6.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.782 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -114.39 134.7 54.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -149.18 60.07 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.9 t -69.49 70.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 t 79.04 -56.37 0.44 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.107 -179.876 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 28' ' ' SER . 11.6 p -138.62 -41.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.405 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.436 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -61.33 150.76 34.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.976 -179.89 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.2 t -156.9 150.06 24.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -109.75 -30.87 7.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.042 -179.89 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.692 ' CE1' HG23 ' A' ' 21' ' ' THR . 40.6 m-85 60.79 172.37 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.817 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.6 m -129.87 142.78 50.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.708 HG23 ' HB2' ' A' ' 35' ' ' ARG . 10.3 t -108.6 26.65 10.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.404 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 56.08 32.12 59.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.613 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.708 ' HB2' HG23 ' A' ' 33' ' ' THR . 1.7 tpt180 -107.18 -33.13 7.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.958 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.613 ' C ' HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -174.88 173.12 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 -179.984 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.57 -30.57 66.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -69.47 109.76 4.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.2 m -69.36 142.97 92.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.72 142.87 72.28 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.506 2.137 . . . . 0.0 112.279 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -68.09 -33.03 73.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -59.33 109.72 2.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.13 100.73 0.76 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.407 2.071 . . . . 0.0 112.266 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.084 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.462 179.949 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.826 0.346 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 27.1 mtt -77.08 159.96 29.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.99 85.53 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.8 m -73.75 112.76 10.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.1 172.89 7.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.33 132.75 51.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.06 157.1 12.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.537 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.29 -27.84 32.21 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.586 2.191 . . . . 0.0 112.397 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.5 m -92.44 48.37 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.962 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -161.98 129.05 3.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.05 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -85.93 56.98 4.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.741 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.53 6.84 5.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.488 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -179.71 -68.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.797 0.332 . . . . 0.0 111.057 179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -76.96 138.73 39.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.007 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.617 HD12 ' HA2' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -81.41 152.97 27.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.945 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -69.77 157.44 89.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.69 144.75 52.15 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.617 2.212 . . . . 0.0 112.315 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.7 107.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.046 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.29 27.31 3.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -111.44 142.76 43.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.824 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -77.68 143.93 37.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.7 p -123.44 -42.7 2.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.402 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.4 OUTLIER -95.7 -69.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.951 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.2 tttp 61.01 34.87 19.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.417 ' CG2' HG12 ' A' ' 27' ' ' VAL . 9.3 m -80.56 154.27 27.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -59.8 -31.42 69.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.417 HG12 ' CG2' ' A' ' 25' ' ' THR . 11.2 p -76.72 -31.16 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 m -173.56 132.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.4 p -107.34 93.5 4.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.422 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 19.0 m170 -79.33 157.32 27.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.824 ' CZ ' HG23 ' A' ' 21' ' ' THR . 11.2 m-85 -127.53 172.41 10.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.1 m -108.73 126.3 52.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.786 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.7 p -96.09 22.26 7.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.133 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.617 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 52.23 25.94 19.9 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.696 179.862 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.51 -33.53 6.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.865 0.364 . . . . 0.0 110.949 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 m -155.59 164.43 38.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.8 m -72.3 -27.13 62.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -63.15 159.41 17.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 80.9 m -111.98 92.32 17.77 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -50.04 145.46 19.44 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.62 2.213 . . . . 0.0 112.384 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.422 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 26.0 p -59.68 -27.91 66.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 13.4 p90 -102.29 93.19 3.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.76 90.5 0.35 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.462 2.108 . . . . 0.0 112.273 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.519 179.972 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.812 0.339 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.2 ptp -72.74 166.04 23.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.04 37.76 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.8 m -108.29 -36.03 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.9 m 61.22 115.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.6 160.39 15.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.36 177.91 28.21 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.19 -25.18 37.31 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.542 2.161 . . . . 0.0 112.35 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.0 t -98.58 31.72 2.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -160.63 108.15 1.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -80.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 -179.912 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.51 -19.94 7.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.503 -179.839 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.5 t -167.11 -42.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 111.085 -179.815 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -76.94 152.98 35.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.37 145.02 30.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -59.62 164.01 6.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.02 146.03 81.17 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.589 2.193 . . . . 0.0 112.351 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.52 152.53 17.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 64.82 26.71 71.34 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.2 m -123.39 157.4 33.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 110.802 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.64 143.74 44.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.7 p -119.71 -40.87 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.446 ' CH2' HG21 ' A' ' 25' ' ' THR . 15.9 t90 -95.28 -71.06 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.026 -179.916 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 tttm 58.31 101.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.859 HG22 ' O ' ' A' ' 28' ' ' SER . 7.6 t -134.12 64.11 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 78.05 -56.51 0.49 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.064 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 28' ' ' SER . 11.5 p -133.24 -44.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.192 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.859 ' O ' HG22 ' A' ' 25' ' ' THR . 0.8 OUTLIER -77.19 77.74 3.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.879 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.3 p -103.81 114.6 28.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -85.28 132.73 34.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -92.32 152.38 19.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.21 149.6 28.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.664 HG23 ' HB2' ' A' ' 35' ' ' ARG . 5.3 t -109.24 23.19 14.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.09 32.24 49.71 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.71 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.664 ' HB2' HG23 ' A' ' 33' ' ' THR . 19.1 mtt180 -114.96 -69.21 0.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.996 0.427 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.1 p -120.26 162.65 19.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.2 m -71.94 -28.4 63.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -82.0 99.44 9.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.8 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.9 m -58.75 148.86 66.42 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.18 177.64 6.33 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.568 2.178 . . . . 0.0 112.316 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 m -98.77 32.1 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -133.83 87.59 35.2 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.86 97.26 0.64 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.575 2.184 . . . . 0.0 112.305 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.412 -1.216 . . . . 0.0 112.52 -179.996 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.812 0.339 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 6.6 mtt -135.46 32.82 3.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -106.71 126.13 51.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.3 m -102.3 -34.01 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.472 HG22 ' H ' ' A' ' 6' ' ' THR . 1.2 m 59.24 171.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.472 ' H ' HG22 ' A' ' 5' ' ' THR . 67.9 p -134.59 150.36 50.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.99 157.09 8.25 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.39 -28.17 34.26 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.601 2.201 . . . . 0.0 112.31 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.8 t -63.23 -46.09 88.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.4 p -102.42 149.45 24.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -74.31 -77.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -133.97 6.72 3.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.481 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 177.81 -38.21 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.874 0.369 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -93.89 140.94 29.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.6 pp -105.14 148.3 27.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.486 ' O ' HD12 ' A' ' 15' ' ' LEU . 12.3 mttm -59.9 153.67 52.96 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.7 144.37 43.23 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.59 2.193 . . . . 0.0 112.297 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.665 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.48 106.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.05 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.93 27.92 3.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.434 HG22 ' N ' ' A' ' 21' ' ' THR . 58.5 m -121.14 162.05 20.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.846 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.434 ' N ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER -78.97 145.25 34.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.8 p -119.26 -41.13 2.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.574 ' CE2' HG21 ' A' ' 25' ' ' THR . 4.6 t90 -93.71 -65.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 tttt 60.76 78.93 0.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.574 HG21 ' CE2' ' A' ' 23' ' ' TRP . 25.6 p -117.25 172.41 7.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.6 t -77.19 -30.65 54.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.02 -35.94 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -178.39 124.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.1 m -89.04 136.53 32.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.4 ' O ' HG22 ' A' ' 21' ' ' THR . 19.8 m170 -104.27 152.46 22.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -122.49 172.18 8.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.7 m -123.98 150.63 44.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.0 t -112.13 24.52 12.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.998 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.665 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 55.4 31.95 57.34 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.604 179.935 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -105.72 -66.57 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.978 0.418 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.3 t -128.53 171.35 12.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.4 m -75.08 -31.11 61.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -68.09 127.22 32.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.5 m -76.53 152.34 83.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.52 170.28 16.65 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.578 2.185 . . . . 0.0 112.342 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.8 m -108.92 -31.47 7.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 42.0 p90 -85.03 110.71 30.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.07 108.2 2.09 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.437 2.091 . . . . 0.0 112.295 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.449 -1.195 . . . . 0.0 112.524 -179.99 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.814 0.34 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.6 tpt -156.64 162.11 39.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 t70 60.49 39.11 18.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 81.1 m -135.64 122.6 21.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.6 p -58.92 116.35 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.51 126.81 52.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.28 -175.31 44.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.48 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.25 -27.61 34.59 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.587 2.192 . . . . 0.0 112.247 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 m -84.39 -27.43 27.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.027 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.3 m -102.66 166.15 10.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.001 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -179.74 130.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.683 179.957 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 64.4 14.35 8.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.282 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.6 t 76.05 67.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.793 -179.815 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.27 107.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.793 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.45 129.73 43.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.006 -179.917 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -60.5 147.41 83.04 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.08 145.14 65.91 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.575 2.183 . . . . 0.0 112.321 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.16 112.31 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 179.886 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.78 18.48 6.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.654 -179.922 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.4 m -110.42 131.86 54.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.776 0.322 . . . . 0.0 110.815 179.919 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 10.8 t -55.93 159.9 3.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 -179.894 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.7 p -149.56 30.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.444 ' CH2' ' CG2' ' A' ' 25' ' ' THR . 0.2 OUTLIER -176.52 172.3 2.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 -179.961 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.3 pttt -176.05 70.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.444 ' CG2' ' CH2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -69.54 70.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.926 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m 78.28 -56.39 0.48 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.075 -179.884 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.64 -44.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.229 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.09 150.0 35.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.962 -179.922 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.2 p -147.5 -179.58 6.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.965 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.403 ' CE1' ' O ' ' A' ' 40' ' ' PRO . 5.2 m-70 -131.63 133.94 45.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 3.2 m-85 -91.27 122.6 34.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.009 -179.935 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -76.29 140.16 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 179.868 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.2 p -95.74 18.2 13.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.185 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.64 31.85 23.44 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.734 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -108.31 -67.26 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.985 0.422 . . . . 0.0 111.009 -179.946 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -125.07 170.83 10.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -32.19 66.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -68.89 111.44 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 91.2 m -62.93 155.37 72.39 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.403 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 45.5 Cg_endo -68.45 175.73 6.59 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.541 2.161 . . . . 0.0 112.244 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 m -109.68 35.07 3.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -147.03 147.78 30.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.66 106.24 1.93 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.537 2.158 . . . . 0.0 112.357 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.5 -179.98 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.81 0.338 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 12.6 ttm -133.5 -47.32 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.907 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -136.6 -47.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 59.7 m 62.76 -79.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.09 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.6 m 64.74 160.6 0.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.73 141.85 47.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.2 164.26 15.75 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.465 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.82 63.47 0.58 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.881 2.387 . . . . 0.0 112.351 -179.86 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.8 t -176.86 36.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.4 p -177.57 133.53 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.812 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -59.77 -77.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -134.49 6.22 3.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.498 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 175.11 -38.58 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.876 0.369 . . . . 0.0 110.743 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.88 135.76 40.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.978 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.816 HD12 ' HA2' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -78.87 134.28 36.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.937 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -59.89 157.32 30.65 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.89 143.4 72.01 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.572 2.181 . . . . 0.0 112.359 -179.937 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.54 103.6 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.006 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.31 32.05 1.43 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.0 m -107.72 141.86 38.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 110.72 179.88 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.0 132.26 45.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.002 -179.918 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 p -121.33 -42.63 2.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -97.14 129.3 44.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -135.77 43.61 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.458 HG22 ' H ' ' A' ' 26' ' ' SER . 0.6 OUTLIER -59.15 172.71 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.458 ' H ' HG22 ' A' ' 25' ' ' THR . 3.7 m -84.98 57.31 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 28' ' ' SER . 12.3 p -171.44 -41.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.42 ' N ' HG13 ' A' ' 27' ' ' VAL . 73.5 m -165.55 161.55 18.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.7 p -131.49 130.8 42.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.404 ' N ' ' CD2' ' A' ' 30' ' ' HIS . 11.9 m170 -96.91 -174.22 2.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -131.71 172.42 12.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.09 157.16 18.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.1 p -111.72 17.09 20.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.196 179.935 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.816 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 49.93 33.93 21.89 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.755 179.936 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -116.05 -37.82 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.086 -179.87 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.0 p -135.64 155.88 49.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.5 m -71.75 -25.6 62.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -77.14 141.04 40.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.97 -179.893 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.0 t -83.28 134.98 44.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.783 179.875 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.74 161.67 45.24 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.448 2.098 . . . . 0.0 112.364 -179.933 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.4 t -118.31 38.42 3.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -113.42 89.97 16.21 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -51.62 125.92 18.17 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.554 2.169 . . . . 0.0 112.357 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.479 -179.979 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.85 0.357 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.24 127.49 33.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.65 -42.44 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -165.14 -44.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.437 HG22 ' N ' ' A' ' 6' ' ' THR . 31.0 m 59.14 162.51 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.437 ' N ' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER -134.48 117.55 16.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.98 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.47 -169.62 27.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.9 -26.04 27.3 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.549 2.166 . . . . 0.0 112.328 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.91 39.42 1.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 72.2 m -153.3 136.04 15.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -69.72 -28.26 65.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.996 179.934 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 167.13 -28.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.336 -179.944 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -137.29 -46.4 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.941 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.31 173.87 8.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.682 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -120.22 154.8 34.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.918 179.901 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -58.49 153.79 37.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.969 -179.916 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.39 149.08 92.13 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.566 2.178 . . . . 0.0 112.34 179.941 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.74 109.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.218 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.5 22.35 5.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.671 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 21' ' ' THR . 14.0 m -99.07 164.0 12.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.79 0.329 . . . . 0.0 110.953 179.939 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.958 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -107.34 137.84 44.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.968 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.3 p -135.93 -46.18 0.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -85.54 165.1 17.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -176.7 78.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.73 63.73 7.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m 77.79 -56.32 0.5 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.486 HG23 ' N ' ' A' ' 28' ' ' SER . 35.1 m -126.27 -44.24 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.177 -179.939 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.486 ' N ' HG23 ' A' ' 27' ' ' VAL . 1.6 t -77.02 121.21 23.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.949 -179.856 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.5 t -134.34 101.33 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -69.73 173.1 6.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.958 ' CE2' HG23 ' A' ' 21' ' ' THR . 7.2 m-85 -132.08 172.28 12.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 98.6 m -111.51 161.33 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.42 HG23 ' HB2' ' A' ' 35' ' ' ARG . 9.1 t -118.71 25.81 9.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.014 179.919 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.52 ' HA2' HD23 ' A' ' 15' ' ' LEU . . . 55.16 32.74 57.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.621 179.923 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.42 ' HB2' HG23 ' A' ' 33' ' ' THR . 2.2 mmt-85 -108.23 -32.8 7.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -169.69 173.29 6.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.2 m -71.2 -30.64 66.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.826 179.916 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.48 100.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 95.2 m -59.16 109.61 2.03 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -68.91 177.33 5.09 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.436 2.091 . . . . 0.0 112.315 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.2 m -102.16 41.93 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -114.57 87.51 14.34 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.2 -176.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.548 2.166 . . . . 0.0 112.315 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.517 -179.973 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.799 0.333 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.6 mtt 60.56 -174.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -127.23 157.2 40.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.8 m -103.71 117.39 34.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.1 107.13 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.2 p -105.44 130.28 53.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.6 -160.18 25.25 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.83 -27.1 18.28 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.567 2.178 . . . . 0.0 112.425 -179.899 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 t -106.52 27.25 8.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.122 -179.938 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.7 m -143.21 128.01 18.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -60.48 -80.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -135.86 6.86 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.553 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.3 t -178.49 -44.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.82 0.343 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -92.76 165.93 12.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.891 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.59 166.7 10.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -70.15 153.44 95.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.34 147.11 37.94 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.607 2.205 . . . . 0.0 112.316 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.67 108.45 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.31 25.85 4.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.475 -179.911 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.4 m -121.67 133.03 54.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -59.04 172.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.955 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.9 p -145.7 -46.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.41 ' CE3' ' CG2' ' A' ' 25' ' ' THR . 0.7 OUTLIER -63.78 -69.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? 55.3 74.58 0.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.038 179.832 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 28' ' ' SER . 1.1 t -128.82 172.56 11.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.869 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 p -57.11 -21.35 31.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.429 -179.768 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.3 t -83.18 -53.55 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.921 0.391 . . . . 0.0 111.126 -179.874 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.412 ' H ' HG23 ' A' ' 25' ' ' THR . 30.4 t -179.05 -166.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.42 153.59 46.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.785 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -115.78 114.19 24.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -71.74 116.64 12.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 59.1 m -68.4 142.41 55.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.789 HG23 ' HB2' ' A' ' 35' ' ' ARG . 10.0 t -96.56 21.4 9.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.88 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.88 28.22 31.2 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.751 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.789 ' HB2' HG23 ' A' ' 33' ' ' THR . 1.0 OUTLIER -106.08 -34.11 7.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.779 0.323 . . . . 0.0 110.995 -179.895 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.9 p -171.55 173.11 4.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 -179.93 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -30.98 66.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.69 96.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.946 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.3 m -62.96 149.37 90.47 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.04 177.42 5.79 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.566 2.177 . . . . 0.0 112.352 179.93 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -109.95 31.67 5.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.414 ' CD2' ' N ' ' A' ' 42' ' ' TYR . 4.1 m-85 -118.47 82.81 19.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.21 137.79 54.86 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.551 2.167 . . . . 0.0 112.285 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.534 179.945 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.789 0.328 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 13.5 ttm 60.67 35.34 19.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -132.13 132.68 43.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.4 m -106.15 150.52 25.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.16 108.35 20.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.8 p -109.41 158.6 17.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.79 -178.23 19.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.49 -32.4 19.76 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.55 2.167 . . . . 0.0 112.316 179.931 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.1 t -98.82 31.45 2.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 96.8 m -152.61 146.04 24.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -102.68 71.77 1.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 68.2 -68.59 0.17 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.011 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.13 39.17 3.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -154.01 143.81 21.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.11 144.1 27.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -75.0 157.73 85.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.72 143.96 57.99 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.508 2.138 . . . . 0.0 112.319 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.42 162.19 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.049 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.3 23.28 57.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.528 -179.915 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.3 m -118.6 127.47 53.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 110.832 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 t -59.35 168.9 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.8 p -145.56 -46.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -88.37 156.5 19.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -151.22 80.36 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.84 64.06 8.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 78.01 -56.61 0.49 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.047 -179.915 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.02 -44.83 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.175 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.45 152.05 39.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -148.66 178.8 8.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -126.83 123.11 36.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -80.36 118.31 21.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.62 142.22 27.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.6 p -98.85 17.77 18.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.242 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.38 27.34 16.58 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.812 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -102.06 -33.45 9.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.763 0.316 . . . . 0.0 110.962 -179.949 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -152.79 167.46 28.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 69.3 m -71.65 -30.57 65.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -78.57 107.99 11.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.5 m -60.17 149.76 73.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.26 177.46 5.9 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.598 2.199 . . . . 0.0 112.327 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.0 m -103.72 32.37 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -109.45 86.95 4.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.9 95.03 0.55 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.581 2.187 . . . . 0.0 112.299 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.499 -179.992 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.766 0.317 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 17.7 ttm 60.59 109.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -137.89 142.95 40.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -130.7 143.65 50.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.17 161.42 13.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.81 139.29 53.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.5 -178.09 26.3 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.53 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 -29.97 23.43 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.599 2.199 . . . . 0.0 112.3 179.929 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.0 t -72.12 -30.42 65.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.9 m -100.7 153.47 19.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -90.92 51.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.812 179.937 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? 71.99 8.11 5.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.515 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.53 -63.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.774 0.321 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -91.86 145.88 24.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 -179.84 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.491 ' C ' HD12 ' A' ' 15' ' ' LEU . 4.7 pp -82.89 157.16 23.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -78.96 161.29 69.11 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.26 145.08 83.05 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.612 2.208 . . . . 0.0 112.355 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.729 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -61.83 112.36 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.09 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.16 25.9 4.25 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.582 179.943 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.3 m -129.47 144.8 51.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.715 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -59.89 172.62 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.947 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.3 p -157.72 -45.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.581 ' CZ2' HG21 ' A' ' 25' ' ' THR . 9.7 t90 -74.5 -68.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.65 107.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.969 179.914 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.581 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 18.0 p -133.38 63.71 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 77.63 -56.58 0.51 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.03 -179.922 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 28' ' ' SER . 29.8 m -132.59 -44.84 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.181 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.469 ' N ' HG23 ' A' ' 27' ' ' VAL . 1.5 t -83.13 134.32 35.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.5 p -152.71 152.93 32.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -108.78 133.77 52.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.715 ' CE1' HG23 ' A' ' 21' ' ' THR . 4.4 m-85 -93.73 126.73 39.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.78 141.07 49.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.514 HG23 ' HB2' ' A' ' 35' ' ' ARG . 3.5 t -96.26 21.54 8.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.729 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 51.79 26.56 17.93 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.759 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.514 ' HB2' HG23 ' A' ' 33' ' ' THR . 0.0 OUTLIER -109.08 -33.58 6.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.828 0.347 . . . . 0.0 110.962 -179.981 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.3 m -159.7 172.67 17.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.83 -29.43 64.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.17 142.23 52.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 71.7 m -104.12 90.23 2.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.22 175.08 7.16 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.536 2.157 . . . . 0.0 112.265 -179.971 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.5 p -85.24 57.24 4.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -122.65 73.05 42.36 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.48 -167.97 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.574 2.183 . . . . 0.0 112.291 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.533 -179.981 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.787 0.327 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.3 tpp -139.97 139.35 36.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -91.77 119.43 31.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.4 m -107.24 111.05 23.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.473 HG22 ' H ' ' A' ' 6' ' ' THR . 0.8 OUTLIER -66.57 172.59 4.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.996 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.473 ' H ' HG22 ' A' ' 5' ' ' THR . 0.8 OUTLIER -134.75 169.57 17.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.998 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.51 168.2 11.81 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.3 -54.7 4.77 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.538 2.159 . . . . 0.0 112.311 179.976 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.66 -28.27 67.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.29 123.19 20.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.3 ttm-85 -79.76 -21.6 44.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 179.943 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 167.6 -29.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.321 -179.906 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.2 t -151.1 -46.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.818 179.926 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.1 mtmm -90.66 168.36 11.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.465 HD13 ' N ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -97.45 139.77 32.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.974 179.979 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -58.88 165.92 2.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.72 146.57 84.21 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.577 2.185 . . . . 0.0 112.338 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.88 165.19 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.077 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.42 19.79 48.74 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.567 -179.95 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.8 m -109.36 122.11 46.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.8 0.333 . . . . 0.0 110.81 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.498 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -60.02 154.95 17.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.973 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.2 p -162.26 41.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 -179.929 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -176.59 160.45 2.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -162.33 117.83 1.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.679 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.36 77.63 1.76 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 -179.811 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 t 54.68 79.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.305 179.688 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.465 ' O ' HG12 ' A' ' 27' ' ' VAL . 4.4 t 71.61 30.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.077 179.777 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.41 169.51 15.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.779 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.6 p -177.12 137.57 0.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.416 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 5.2 m170 -113.11 133.51 54.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.783 179.922 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.498 ' CZ ' HG23 ' A' ' 21' ' ' THR . 78.9 m-85 -102.68 140.26 37.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.006 -179.866 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.9 m -81.38 156.36 25.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.791 179.904 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.822 HG23 ' HB2' ' A' ' 35' ' ' ARG . 4.5 t -108.5 21.23 17.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.079 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.65 27.63 27.72 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.674 179.891 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.822 ' HB2' HG23 ' A' ' 33' ' ' THR . 0.0 OUTLIER -102.4 -33.81 9.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.0 110.968 -179.958 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.465 ' N ' HD13 ' A' ' 15' ' ' LEU . 5.0 t -154.95 172.5 17.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 m -73.1 -30.24 63.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.6 156.63 32.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 88.4 m -105.27 87.97 2.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.0 172.37 12.02 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.578 2.185 . . . . 0.0 112.287 -179.973 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.416 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 0.8 OUTLIER -86.01 57.45 4.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.984 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -122.22 79.73 44.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.92 -169.0 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.555 2.17 . . . . 0.0 112.288 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.492 179.957 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.816 0.341 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.4 ttm -160.61 -62.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -65.41 136.49 56.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.6 m -67.13 124.72 23.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.9 p -88.44 129.56 35.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.0 m -114.9 139.52 49.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.78 -169.49 31.21 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.7 -30.32 18.06 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.595 2.197 . . . . 0.0 112.372 179.977 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -98.98 29.84 3.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.499 ' SG ' HD22 ' A' ' 15' ' ' LEU . 31.5 m -147.52 141.32 25.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -90.35 51.99 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 179.898 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 73.19 6.2 5.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.499 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 54.1 t -178.91 -56.9 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.838 0.352 . . . . 0.0 110.951 179.959 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -69.08 167.44 16.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.033 -179.893 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.6 HD13 ' N ' ' A' ' 16' ' ' LYS . 0.6 OUTLIER -108.4 131.33 54.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.6 ' N ' HD13 ' A' ' 15' ' ' LEU . 25.6 mttp -59.42 148.7 72.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.31 144.98 92.55 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.607 2.204 . . . . 0.0 112.346 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.3 122.43 17.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.44 22.92 7.51 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.597 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.7 m -115.81 139.09 50.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.855 0.359 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.803 HG23 ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -76.27 142.35 41.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.995 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.8 p -118.63 -40.78 2.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -94.03 109.82 21.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -108.26 35.16 3.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.2 172.5 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.4 m -95.99 61.55 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -176.59 -39.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.142 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -163.62 163.28 24.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.7 p -138.33 161.0 38.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.402 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.5 m-70 -134.02 149.04 51.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.803 ' CZ ' HG23 ' A' ' 21' ' ' THR . 9.4 m-85 -114.12 156.76 23.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 m -100.48 168.02 10.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.531 HG23 ' HG3' ' A' ' 35' ' ' ARG . 4.1 t -122.37 26.0 8.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 55.28 27.58 47.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.656 179.941 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.531 ' HG3' HG23 ' A' ' 33' ' ' THR . 7.4 mtp85 -107.54 -38.34 5.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 m -164.74 167.39 19.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -28.9 63.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -59.82 96.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 95.6 m -61.68 149.57 84.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.12 160.54 49.25 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.572 2.181 . . . . 0.0 112.302 179.966 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.9 p -108.18 33.56 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -136.05 86.41 26.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.76 112.9 3.2 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.551 2.167 . . . . 0.0 112.347 179.934 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.331 -1.26 . . . . 0.0 112.476 -179.996 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.789 0.328 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.5 mtt -106.07 31.75 4.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -88.57 179.44 6.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.7 m -80.76 110.51 16.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.0 m -86.91 112.41 21.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.8 138.81 52.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.72 162.86 29.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.577 179.976 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.25 -26.0 42.32 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.598 2.199 . . . . 0.0 112.428 179.939 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.1 t -102.64 35.93 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -160.05 104.83 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.032 -179.872 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.57 82.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.56 179.766 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 71.86 -65.36 0.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -131.74 -32.75 1.45 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.589 -179.81 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -79.07 129.95 34.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.846 0.355 . . . . 0.0 111.058 -179.69 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.436 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -94.36 151.47 19.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.874 179.939 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -66.58 155.94 87.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -57.31 144.59 90.71 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.584 2.189 . . . . 0.0 112.297 -179.932 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.82 107.89 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.007 179.876 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.1 26.54 3.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.587 -179.921 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.4 m -121.41 142.4 50.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.782 0.325 . . . . 0.0 110.807 179.919 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.747 HG23 ' CD1' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -81.73 139.13 35.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 -179.984 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 p -113.49 -36.8 4.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -103.71 -177.41 3.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -179.34 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.9 t -58.34 172.96 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.073 -179.988 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.5 t 64.03 16.85 10.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.287 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.551 ' O ' HG12 ' A' ' 27' ' ' VAL . 11.7 t 69.24 30.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.937 0.399 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.7 p -151.23 134.0 15.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.999 -179.935 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.13 84.14 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.925 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -59.63 151.32 25.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.747 ' CD1' HG23 ' A' ' 21' ' ' THR . 3.2 m-85 -102.31 172.51 6.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.16 125.75 44.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.949 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.548 HG23 ' HB2' ' A' ' 35' ' ' ARG . 10.2 t -97.24 20.34 11.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.881 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.01 27.16 21.19 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.69 179.901 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.548 ' HB2' HG23 ' A' ' 33' ' ' THR . 2.5 mmt85 -99.57 -34.57 10.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.34 . . . . 0.0 110.981 -179.861 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -139.95 159.59 41.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.5 m -72.16 -26.8 62.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.026 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -96.38 139.73 32.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 32.6 m -59.96 148.46 76.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.55 177.85 6.32 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.52 2.147 . . . . 0.0 112.33 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -106.27 36.62 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -137.95 151.51 70.32 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.89 -27.03 26.37 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.552 2.168 . . . . 0.0 112.366 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.343 -1.254 . . . . 0.0 112.504 179.986 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.827 0.346 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.5 ptt? -138.97 137.04 36.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 179.971 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -106.87 -38.29 6.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.9 m 61.11 112.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.08 137.14 43.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.4 p -108.59 143.64 37.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.12 -174.92 30.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.52 -34.55 15.12 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.608 2.206 . . . . 0.0 112.292 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 54.0 t -71.29 -31.45 67.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.2 m -91.85 118.7 30.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -60.04 -72.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -133.66 6.62 3.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.58 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 179.26 -62.06 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.798 0.333 . . . . 0.0 110.987 179.949 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -85.93 157.85 20.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.987 -179.856 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.619 HD12 ' HA2' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -82.58 152.65 25.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.987 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -67.09 160.77 68.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.66 145.46 38.6 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.562 2.175 . . . . 0.0 112.376 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.418 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.24 112.67 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.26 26.84 6.09 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.557 -179.973 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.2 m -111.28 164.88 12.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.832 0.349 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.736 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -81.65 154.95 25.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.978 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.8 p -157.21 -45.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.449 ' NE1' HG23 ' A' ' 25' ' ' THR . 19.2 t90 -108.4 106.7 16.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -119.28 88.2 2.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.449 HG23 ' NE1' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -95.43 159.3 15.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.996 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 p -60.3 -31.25 70.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.52 -33.39 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.3 p -176.85 -173.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -149.63 134.73 18.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -106.73 176.82 5.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.736 ' CE2' HG23 ' A' ' 21' ' ' THR . 31.3 m-85 -130.91 159.18 38.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 t -91.31 150.48 21.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.69 17.71 23.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.21 179.953 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.619 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 54.07 23.19 23.33 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.796 179.932 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -116.59 -33.21 4.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.717 0.294 . . . . 0.0 111.075 179.985 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -148.72 163.47 37.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.98 -28.65 63.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -74.41 108.91 7.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.9 m -59.73 110.53 2.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -52.09 171.78 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.461 2.107 . . . . 0.0 112.287 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -102.47 34.64 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -123.41 79.72 53.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.17 113.45 1.2 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.536 2.157 . . . . 0.0 112.311 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.505 179.993 . . . . . . . . 0 0 . 1 stop_ save_