data_2ly5_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 2ly5 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.613 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 34.6 m . . . . . 0 CA--C 1.516 -0.339 0 CA-C-O 117.095 -1.431 . . . . 0.0 112.18 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -130.8 137.63 49.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 119.86 1.209 . . . . 0.0 110.593 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -135.11 116.38 14.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.55 178.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.9 t -76.59 137.08 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.495 -177.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.633 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.7 m-85 -85.95 125.85 33.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.587 177.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -107.35 135.33 49.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.462 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.7 OUTLIER 66.03 59.56 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.626 179.171 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -131.33 133.59 24.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.551 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -46.37 124.0 7.34 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.846 2.364 . . . . 0.0 112.176 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.1 m -76.56 -42.24 34.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.531 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.449 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 33.4 t -50.58 -38.28 44.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.548 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -68.39 -31.0 70.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.536 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -7.05 27.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.449 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.1 pt20 -64.35 -6.25 6.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.492 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.574 ' C ' ' H ' ' A' ' 20' ' ' ASN . 7.7 mt -128.88 99.67 5.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.591 178.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.478 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.58 -11.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.581 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.603 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.6 m-20 -84.57 -40.27 17.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.558 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 18' ' ' LEU . 80.4 mm-40 -73.21 -44.55 59.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.625 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.605 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 19.5 t -55.8 -58.89 5.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.694 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.603 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.4 p-10 -59.19 -43.73 92.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.678 -178.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -60.49 -54.8 41.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.709 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -56.25 -41.8 76.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.686 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.633 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -53.78 -49.78 67.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.625 -179.71 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.681 ' O ' ' N ' ' A' ' 31' ' ' HIS . 45.2 mtpt -66.61 -50.65 62.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.653 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.2 mt -54.84 -27.64 43.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.632 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -94.93 -52.36 4.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.596 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.509 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 35.1 mmtm -107.32 -17.22 14.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.6 -176.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.681 ' N ' ' O ' ' A' ' 27' ' ' LYS . 42.0 m-70 66.67 54.42 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.569 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.588 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -92.97 -162.95 0.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.487 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.605 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 19.7 mmt-85 -84.45 -52.82 5.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.572 178.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.432 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 28.4 m -129.09 -78.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.591 178.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.605 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 86.34 56.03 2.36 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -75.08 173.68 10.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.327 . . . . 0.0 110.666 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.542 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 62.8 m -81.3 151.99 27.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.578 -178.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 46' ' ' GLN . 57.4 m-85 -143.12 144.13 32.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.612 177.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.488 ' CE2' ' CD2' ' A' ' 45' ' ' LEU . 21.3 m-85 -92.57 109.95 21.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.553 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.427 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 49.9 p-10 -87.2 -155.14 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.631 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.5 mp0 -73.13 -38.69 66.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.605 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -72.19 3.81 4.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.609 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 58.9 17.45 5.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.58 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.647 HD22 HE21 ' A' ' 46' ' ' GLN . 8.8 p-10 -95.16 131.64 40.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.562 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.488 ' CD2' ' CE2' ' A' ' 39' ' ' TYR . 7.7 mt -60.5 117.37 5.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.56 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.647 HE21 HD22 ' A' ' 44' ' ' ASN . 95.5 mt-30 -120.96 137.04 54.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.528 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.3 m -84.49 120.8 26.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.42 ' CD1' ' CG ' ' A' ' 38' ' ' PHE . 50.1 mt -102.66 92.56 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.49 112.3 2.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.57 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.898 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 16.5 p30 -99.49 124.69 44.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.523 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.643 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 59.4 m-85 -103.23 62.62 0.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.579 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.643 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.2 m -170.58 -173.04 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.605 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -98.38 79.57 2.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.57 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.61 179.659 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.0 m . . . . . 0 CA--C 1.533 0.32 0 CA-C-O 120.711 0.291 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.519 ' HZ1' ' CB ' ' A' ' 50' ' ' ASP . 63.4 mmtt -85.25 132.92 34.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.607 -176.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -131.91 119.18 20.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.561 177.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.413 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 59.8 t -76.17 137.14 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.509 -177.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.641 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.4 m-85 -85.46 128.06 34.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.628 177.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.507 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 55.9 mp0 -107.29 132.56 52.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.615 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.483 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.7 OUTLIER 64.84 67.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.561 178.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -136.3 135.39 20.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.583 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -46.11 123.72 6.68 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.797 2.331 . . . . 0.0 112.169 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.407 ' CG2' ' N ' ' A' ' 14' ' ' SER . 24.8 m -77.5 -44.03 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.587 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.456 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 24.3 t -50.34 -37.92 39.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.541 -179.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -69.19 -32.02 71.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.536 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.7 OUTLIER -70.12 -5.42 26.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.581 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.456 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.7 pt20 -62.66 -8.43 6.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.531 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.8 mt -126.66 102.96 7.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.576 178.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.485 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.16 -13.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.588 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.573 ' N ' ' O ' ' A' ' 18' ' ' LEU . 96.1 m-20 -83.77 -36.91 23.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.564 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 18' ' ' LEU . 83.5 mm-40 -74.16 -47.36 36.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.573 ' SG ' ' N ' ' A' ' 37' ' ' CYS . 35.0 t -53.02 -58.78 5.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.697 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.567 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.7 p-10 -59.16 -44.84 92.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.691 -178.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -58.75 -55.53 33.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.637 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -55.07 -41.38 71.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.71 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.641 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -55.32 -50.15 70.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.649 -179.818 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.623 ' O ' ' N ' ' A' ' 31' ' ' HIS . 5.1 mtpm? -64.44 -53.52 46.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.645 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.6 mt -56.23 -27.88 56.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.666 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.409 ' HB2' ' HH ' ' A' ' 8' ' ' TYR . 80.5 m-20 -90.16 -56.22 3.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.633 -177.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.521 ' C ' ' CG ' ' A' ' 31' ' ' HIS . 52.6 mmtt -105.27 -20.23 13.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.615 -176.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.623 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.3 m80 74.21 51.08 0.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.573 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.537 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -91.64 -165.92 1.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.55 178.176 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.595 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 14.1 mmt180 -81.96 -54.04 5.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.618 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 58.4 m -128.67 -77.38 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.629 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.51 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 85.64 54.87 2.68 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 177.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.491 ' C ' ' SG ' ' A' ' 22' ' ' CYS . 77.7 mm-40 -71.85 163.79 27.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.349 . . . . 0.0 110.588 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.573 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -89.59 148.56 23.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.585 -178.483 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -134.39 157.52 46.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.657 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.407 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 11.1 m-85 -95.33 112.01 23.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.572 -179.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -92.63 -159.97 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.527 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.8 mp0 -71.1 -39.73 71.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.583 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -71.83 3.85 3.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.558 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 57.7 16.96 3.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.544 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.673 HD22 ' NE2' ' A' ' 46' ' ' GLN . 17.9 p-10 -99.21 113.6 25.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.58 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.407 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 3.4 mt -47.85 124.4 7.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.574 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.673 ' NE2' HD22 ' A' ' 44' ' ' ASN . 17.2 mt-30 -123.7 130.78 53.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.574 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.413 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 67.5 m -78.33 120.93 23.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.576 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.9 mt -101.63 89.68 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.531 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.34 117.77 5.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.542 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.967 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 18.4 p30 -105.91 115.79 30.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.572 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.6 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 61.0 m-85 -95.93 60.6 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.581 178.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.6 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.4 m -168.55 -174.87 2.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.588 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -100.09 79.27 2.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.53 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 43.9 p90 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.621 179.424 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.631 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 28.8 m . . . . . 0 CA--C 1.518 -0.283 0 CA-C-O 117.172 -1.394 . . . . 0.0 111.908 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -130.9 138.49 49.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 119.708 1.14 . . . . 0.0 110.607 -178.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.432 ' NZ ' ' CB ' ' A' ' 6' ' ' LYS . 6.8 mtpm? -135.23 115.15 13.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.683 178.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.432 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 61.0 t -75.28 137.97 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.556 -177.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.602 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 3.0 m-85 -86.41 132.13 34.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.545 177.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 54.4 mp0 -114.87 133.46 55.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 179.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.524 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.14 64.07 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.529 179.058 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -133.91 152.96 79.57 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.508 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.84 123.61 13.31 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.813 2.342 . . . . 0.0 112.153 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.6 t -78.3 -48.83 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.589 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.454 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 20.4 m -50.03 -36.33 28.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 -178.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -70.53 -30.33 67.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.513 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.5 OUTLIER -69.34 -6.5 30.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.55 179.678 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.454 ' OE1' ' O ' ' A' ' 14' ' ' SER . 11.1 pt20 -62.5 -7.9 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.512 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.572 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.8 mt -125.49 101.72 7.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.529 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.468 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.23 -13.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.608 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.59 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 97.2 m-20 -83.04 -37.43 23.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.602 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 18' ' ' LEU . 93.1 mm-40 -74.38 -47.04 36.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.55 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.565 ' SG ' ' N ' ' A' ' 37' ' ' CYS . 36.7 t -52.76 -59.1 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.676 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.59 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 15.1 p-10 -59.27 -46.82 87.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.652 -178.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -55.5 -59.44 4.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.686 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -52.7 -39.99 62.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.648 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.602 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.73 -49.14 71.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.634 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.688 ' O ' ' N ' ' A' ' 31' ' ' HIS . 24.4 mttp -63.98 -54.53 32.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.645 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 72.0 mt -54.73 -28.43 48.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.632 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -91.74 -51.0 5.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.614 -177.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.495 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 54.9 mmtt -110.32 -21.16 12.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 -176.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.688 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.2 m80 72.26 52.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.62 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.544 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -93.37 -170.44 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.482 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.566 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 9.9 mmt85 -81.06 -52.46 7.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.589 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 37.5 m -125.46 -77.69 0.59 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.65 178.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.517 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 84.02 51.94 3.81 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.485 ' C ' ' SG ' ' A' ' 22' ' ' CYS . 77.9 mm-40 -72.84 163.33 28.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 110.589 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.565 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -87.14 146.4 26.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.549 -178.826 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -131.22 157.54 42.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.543 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 6.8 m-85 -93.78 114.58 26.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.551 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.445 ' OD2' ' OE1' ' A' ' 46' ' ' GLN . 85.3 m-20 -94.73 -162.29 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.601 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -70.77 -40.03 72.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.654 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -70.98 2.7 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 57.94 28.59 16.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.561 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.671 HD22 ' NE2' ' A' ' 46' ' ' GLN . 17.7 p-10 -110.29 113.91 26.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.442 ' C ' ' SG ' ' A' ' 37' ' ' CYS . 12.3 mt -46.58 120.87 3.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.556 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.671 ' NE2' HD22 ' A' ' 44' ' ' ASN . 6.8 mt-30 -122.17 133.5 54.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 68.5 m -79.38 124.56 28.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.628 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.2 mt -106.16 90.47 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.32 115.99 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.5 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.843 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 12.8 p30 -103.93 131.29 51.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.619 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 61.5 m-85 -109.92 63.33 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.621 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.619 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.5 m -169.06 -172.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.593 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.7 mp0 -98.75 79.31 2.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.574 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.586 179.623 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.8 m . . . . . 0 CA--C 1.534 0.342 0 CA-C-O 121.01 0.434 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -81.99 135.31 35.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.578 -176.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.462 ' NZ ' ' CB ' ' A' ' 6' ' ' LYS . 7.0 mtpm? -133.09 115.91 15.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 177.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.4 t -73.16 136.99 24.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 -176.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.619 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.6 m-85 -85.9 132.61 34.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.551 177.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.52 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 57.2 mp0 -114.72 133.87 55.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.592 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.531 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.44 64.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.532 178.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -134.61 152.25 77.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.565 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -64.02 124.45 13.54 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.837 2.358 . . . . 0.0 112.176 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -77.59 -45.21 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.591 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.415 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 15.6 m -50.5 -37.67 40.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.592 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -71.73 -31.19 66.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.525 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.5 OUTLIER -69.25 -5.61 24.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.538 179.657 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.415 ' CG ' ' O ' ' A' ' 14' ' ' SER . 15.8 pt20 -62.81 -9.17 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.506 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.563 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.8 mt -123.73 102.67 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.496 179.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.448 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.52 -13.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.565 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.4 m-20 -83.81 -36.12 23.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.596 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 18' ' ' LEU . 89.2 mm-40 -75.08 -48.03 25.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.621 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.564 ' SG ' ' N ' ' A' ' 37' ' ' CYS . 38.4 t -52.23 -59.1 4.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 -179.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.565 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 13.0 p-10 -59.02 -44.95 91.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.716 -178.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -57.83 -58.58 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.658 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -52.66 -40.78 63.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.683 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.619 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.32 -47.91 71.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.624 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.669 ' O ' ' N ' ' A' ' 31' ' ' HIS . 27.5 mttp -66.02 -53.07 43.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.671 -179.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.4 mt -55.34 -28.68 55.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.68 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.4 ' HB2' ' HH ' ' A' ' 8' ' ' TYR . 79.4 m-20 -93.49 -50.82 5.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.569 -177.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.542 ' O ' ' OH ' ' A' ' 51' ' ' TYR . 54.1 mmtt -110.11 -19.46 13.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.621 -176.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.669 ' N ' ' O ' ' A' ' 27' ' ' LYS . 42.3 m-70 66.66 59.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.567 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.546 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -99.12 -167.16 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 179.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.546 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 12.5 mmt-85 -81.23 -52.64 7.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.636 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 9.9 m -126.73 -78.22 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.642 178.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.529 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 85.41 51.9 3.55 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 177.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.492 ' C ' ' SG ' ' A' ' 22' ' ' CYS . 78.3 mm-40 -72.78 163.01 28.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 110.66 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.564 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -89.53 147.72 23.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.559 -178.58 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -133.3 157.54 45.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.623 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.401 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 10.4 m-85 -94.87 111.49 23.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.569 -179.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.4 ' OD2' ' CD ' ' A' ' 46' ' ' GLN . 78.6 m-20 -93.04 -161.91 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.421 ' C ' ' H ' ' A' ' 43' ' ' ARG . 77.5 mm-40 -68.17 -36.38 79.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.568 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 44' ' ' ASN . 59.5 mttp -79.02 16.97 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.543 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.421 ' H ' ' C ' ' A' ' 41' ' ' GLU . 1.2 mmt180 44.37 18.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.523 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.61 HD22 ' NE2' ' A' ' 46' ' ' GLN . 16.3 p-10 -97.62 113.05 24.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.401 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 4.6 mt -48.38 122.95 5.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.601 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.61 ' NE2' HD22 ' A' ' 44' ' ' ASN . 17.4 mt-30 -122.22 131.1 53.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.617 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 65.0 m -78.36 123.31 26.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.557 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 70.6 mt -104.32 90.45 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.594 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.91 113.2 2.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.608 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.926 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 19.6 p30 -102.73 116.03 31.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.537 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.598 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 67.6 m-85 -95.33 60.08 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 177.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.598 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 8.7 m -168.04 -175.73 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 -178.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -98.8 79.08 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.631 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.9 p90 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.628 179.566 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.611 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 33.3 m . . . . . 0 CA--C 1.517 -0.292 0 CA-C-O 117.023 -1.465 . . . . 0.0 112.14 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -131.16 135.97 47.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 119.966 1.257 . . . . 0.0 110.533 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -133.88 115.8 14.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.596 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 p -76.62 137.32 22.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.528 -177.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.64 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.7 m-85 -84.64 130.84 34.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.557 178.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 48.2 mp0 -108.37 131.31 54.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.549 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.466 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 1.1 m-20 64.24 69.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 178.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -136.8 135.3 19.99 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.616 178.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -45.69 123.76 6.2 Favored 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 122.873 2.382 . . . . 0.0 112.168 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.0 m -76.9 -42.0 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.538 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.445 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 96.0 p -50.56 -37.4 39.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.568 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -69.15 -30.76 69.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.475 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.35 -7.03 33.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.602 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.445 ' OE1' ' O ' ' A' ' 14' ' ' SER . 9.5 pt20 -64.81 -7.11 9.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.596 ' C ' ' H ' ' A' ' 20' ' ' ASN . 7.7 mt -130.58 102.28 6.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.544 178.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.493 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -46.06 -9.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.605 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 98.6 m-20 -84.29 -40.67 17.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.623 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -73.22 -45.36 56.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.603 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.601 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 30.9 t -55.06 -59.04 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.681 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.605 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.8 p-10 -58.93 -45.15 91.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.627 -178.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -59.11 -56.76 18.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.66 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -54.12 -42.11 69.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.711 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.64 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.03 -49.68 68.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.656 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.686 ' O ' ' N ' ' A' ' 31' ' ' HIS . 6.2 mtpm? -65.65 -51.36 60.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.637 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.3 mt -55.0 -28.57 53.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.667 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -93.26 -52.6 4.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.583 -177.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.505 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 35.6 mmtm -108.08 -16.43 14.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.628 -176.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.686 ' N ' ' O ' ' A' ' 27' ' ' LYS . 42.0 m-70 66.12 52.47 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.638 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.546 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -90.81 -163.65 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.51 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.616 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 18.9 mmt180 -83.85 -53.38 5.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.568 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 30.9 m -128.33 -78.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.645 178.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.601 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.04 56.65 2.15 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 178.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -76.09 172.95 11.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 0.0 110.582 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.541 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 62.9 m -79.88 151.91 29.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.556 -178.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 46' ' ' GLN . 80.2 m-85 -147.37 143.31 27.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.586 178.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.56 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 20.0 m-85 -90.0 110.27 21.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.559 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.531 ' OD2' ' NE2' ' A' ' 46' ' ' GLN . 43.0 p-10 -82.46 -152.66 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.626 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.421 ' C ' ' H ' ' A' ' 43' ' ' ARG . 51.2 mp0 -73.74 -40.82 63.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.504 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -70.17 3.21 2.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.596 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.421 ' H ' ' C ' ' A' ' 41' ' ' GLU . 21.4 mmm-85 58.38 36.46 25.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.6 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.722 HD22 HE21 ' A' ' 46' ' ' GLN . 9.8 p-10 -112.48 146.42 38.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.628 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.56 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 7.0 mt -70.19 111.57 5.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.722 HE21 HD22 ' A' ' 44' ' ' ASN . 85.3 mt-30 -119.36 138.06 53.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.585 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.7 m -84.31 120.77 26.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.596 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 56.8 mt -102.82 92.48 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.574 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.18 111.66 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.585 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.885 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 16.5 p30 -98.81 125.29 44.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.522 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.643 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 58.8 m-85 -103.6 63.02 0.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.643 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.0 m -170.48 -172.86 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.571 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.406 ' N ' ' OE1' ' A' ' 53' ' ' GLU . 48.1 mp0 -95.88 79.63 3.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.576 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.0 p90 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.508 179.677 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.4 m . . . . . 0 CA--C 1.536 0.432 0 CA-C-O 120.703 0.287 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -77.33 129.86 36.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -125.52 112.11 15.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.628 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 64.8 t -74.39 133.69 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.482 -176.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.627 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.6 m-85 -83.53 133.99 34.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.551 177.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -115.97 135.03 54.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.533 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.5 OUTLIER 67.91 59.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.605 179.143 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -131.86 151.88 79.31 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.509 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -65.53 124.12 12.39 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.749 2.299 . . . . 0.0 112.182 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.436 ' CG2' ' N ' ' A' ' 14' ' ' SER . 15.1 m -77.19 -43.51 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.515 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.436 ' N ' ' CG2' ' A' ' 13' ' ' VAL . 14.1 t -50.4 -38.95 45.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.601 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -72.43 -31.5 65.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.494 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.496 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -65.55 -7.57 15.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.621 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.436 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.7 pt20 -64.94 -8.36 15.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.503 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.562 ' C ' ' H ' ' A' ' 20' ' ' ASN . 7.2 mt -120.66 97.54 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.564 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.49 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.82 -11.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.629 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.603 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.4 m-20 -85.06 -40.47 16.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.626 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 18' ' ' LEU . 79.9 mm-40 -73.4 -44.26 58.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.636 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.601 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 20.4 t -56.42 -59.07 5.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.658 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.603 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.8 p-10 -58.3 -44.14 88.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.664 -178.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -60.48 -54.19 48.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.645 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -56.27 -41.78 76.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.783 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.627 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -53.68 -50.08 66.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.603 -179.791 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.668 ' O ' ' N ' ' A' ' 31' ' ' HIS . 46.3 mtpt -66.72 -50.34 63.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.656 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.5 mt -55.19 -28.47 53.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.645 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -94.69 -52.08 4.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.601 -178.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.5 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 60.6 mmtt -107.3 -16.84 14.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.566 -176.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.668 ' N ' ' O ' ' A' ' 27' ' ' LYS . 40.7 m-70 65.61 54.0 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.596 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.568 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -93.92 -162.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.516 178.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.564 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 18.8 mmt-85 -82.65 -55.12 4.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.577 178.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.443 ' OG ' ' OD2' ' A' ' 50' ' ' ASP . 19.1 p -129.3 -78.33 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.574 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.601 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.38 56.69 2.1 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 178.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -74.73 174.36 9.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.319 . . . . 0.0 110.594 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 71.5 m -81.39 151.77 27.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.471 -178.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' GLN . 76.0 m-85 -147.02 152.44 38.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.5 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.513 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 14.9 m-85 -95.54 109.76 21.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.562 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 40' ' ' ASP . 51.6 p30 -77.19 -159.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.541 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mp0 -67.95 -40.09 83.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.583 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -75.89 6.79 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.52 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.4 mmm-85 58.68 39.96 23.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.562 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.637 ' ND2' HE21 ' A' ' 46' ' ' GLN . 0.0 OUTLIER -110.7 139.19 46.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.517 ' N ' ' OD1' ' A' ' 44' ' ' ASN . 5.2 mt -67.32 113.03 4.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.593 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.637 HE21 ' ND2' ' A' ' 44' ' ' ASN . 90.8 mt-30 -124.57 142.38 51.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.578 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.5 m -83.95 121.26 27.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.597 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.415 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 48.0 mt -102.38 91.81 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.563 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.93 106.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.551 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.92 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 20.6 p30 -95.09 113.61 25.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.639 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.603 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 61.2 m-85 -91.82 60.37 3.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.582 178.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.603 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.9 m -168.58 -174.32 2.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.572 -178.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -97.99 80.48 2.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.529 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.514 ' CD1' ' OD2' ' A' ' 50' ' ' ASP . 46.0 p90 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.53 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.634 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 23.6 m . . . . . 0 CA--C 1.518 -0.268 0 CA-C-O 117.536 -1.221 . . . . 0.0 111.856 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -136.61 138.02 40.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 119.449 1.022 . . . . 0.0 110.553 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -136.49 117.59 14.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.584 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.432 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 43.9 t -75.65 137.56 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.549 -177.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.633 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.7 m-85 -86.48 122.69 30.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.621 177.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.432 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 52.7 mp0 -103.67 135.29 45.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.557 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.488 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.26 57.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.595 179.222 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -130.63 131.12 23.11 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.56 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.436 ' CB ' ' HZ1' ' A' ' 15' ' ' LYS . 75.4 Cg_exo -45.77 123.74 6.28 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.817 2.345 . . . . 0.0 112.204 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.2 m -76.19 -43.1 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.538 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.412 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 86.8 p -51.04 -37.53 45.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.516 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.436 ' HZ1' ' CB ' ' A' ' 12' ' ' PRO . 56.8 mttp -70.78 -33.03 70.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.613 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.535 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 0.3 OUTLIER -66.16 -7.65 19.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.564 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.412 ' CG ' ' O ' ' A' ' 14' ' ' SER . 14.0 pt20 -65.63 -7.36 14.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.575 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.547 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.3 mt -121.84 98.92 6.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.585 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.501 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.94 -12.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.631 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.6 m-20 -84.75 -42.83 14.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.534 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -72.45 -43.65 63.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.582 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.57 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 39.2 t -54.98 -59.64 4.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.715 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.631 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.6 p-10 -59.27 -46.71 87.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.685 -178.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' A' ' 20' ' ' ASN . 4.3 m-85 -58.67 -56.51 21.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.606 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -53.02 -40.75 64.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.747 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.633 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -56.53 -49.82 73.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.667 179.728 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.677 ' O ' ' N ' ' A' ' 31' ' ' HIS . 48.0 mtmt -63.61 -52.33 61.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.624 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.3 mt -55.35 -28.97 57.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.68 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -91.15 -53.27 4.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.627 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.505 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 34.0 mmtm -110.12 -15.69 13.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 -175.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.677 ' N ' ' O ' ' A' ' 27' ' ' LYS . 41.9 m-70 66.06 55.77 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.547 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -94.49 -168.18 1.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.472 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.587 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 12.0 mmt-85 -79.01 -52.87 7.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.609 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.444 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 33.6 m -129.0 -78.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.618 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.563 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.22 55.05 2.43 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -76.01 172.98 11.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.605 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 62.6 m -81.21 149.9 28.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 46' ' ' GLN . 84.0 m-85 -145.54 151.1 37.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.606 178.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.407 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 10.7 m-85 -87.73 110.05 20.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.55 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.436 ' OD2' ' OE1' ' A' ' 46' ' ' GLN . 74.0 m-20 -80.94 -158.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.629 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.416 ' H ' ' HB3' ' A' ' 40' ' ' ASP . 78.5 mm-40 -69.03 -42.4 76.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.52 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -75.55 4.04 8.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.54 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.3 mmm-85 59.25 39.24 22.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.486 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.696 HD22 ' NE2' ' A' ' 46' ' ' GLN . 15.8 p-10 -112.54 120.17 40.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.584 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.407 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 7.3 mt -45.65 110.74 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.636 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.696 ' NE2' HD22 ' A' ' 44' ' ' ASN . 1.9 mt-30 -121.78 140.79 51.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.55 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 84.4 m -82.46 122.45 28.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.622 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.8 mt -105.12 93.32 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.597 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.33 115.61 4.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.526 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.823 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 12.6 p30 -103.62 133.07 49.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.55 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.635 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 66.1 m-85 -110.48 63.63 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.616 178.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.635 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.1 m -169.18 -171.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.643 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -98.49 80.07 2.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.575 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.7 p90 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.554 179.675 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.577 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 31.6 m . . . . . 0 CA--C 1.518 -0.269 0 CA-C-O 117.077 -1.439 . . . . 0.0 112.255 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -130.41 130.71 44.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 119.894 1.224 . . . . 0.0 110.584 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -126.15 111.97 15.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.592 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.0 p -76.44 133.45 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.475 -177.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.625 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 3.0 m-85 -82.97 135.85 34.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.627 178.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.527 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 45.0 mp0 -114.4 132.21 56.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.61 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.485 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.7 OUTLIER 65.74 65.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 179.209 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -134.65 134.43 22.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.519 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -45.94 123.64 6.39 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.81 2.34 . . . . 0.0 112.179 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.2 m -77.13 -43.35 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.552 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.414 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 85.0 p -50.69 -36.86 38.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.55 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -69.75 -32.19 70.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.536 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -7.57 17.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.564 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.414 ' CG ' ' O ' ' A' ' 14' ' ' SER . 11.8 pt20 -64.55 -6.13 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.568 ' C ' ' H ' ' A' ' 20' ' ' ASN . 7.7 mt -126.88 98.09 5.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.506 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.485 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.39 -11.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.59 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 97.5 m-20 -84.69 -39.51 18.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' LEU . 78.8 mm-40 -73.59 -45.7 51.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.648 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.594 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 21.5 t -55.02 -58.97 5.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.643 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.59 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 11.0 p-10 -58.95 -44.7 91.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.615 -178.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -59.31 -56.87 16.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.704 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -54.3 -41.64 69.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.709 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.625 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -54.0 -50.37 66.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.557 -179.758 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.682 ' O ' ' N ' ' A' ' 31' ' ' HIS . 15.0 mtpp -65.47 -51.38 60.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.716 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.4 mt -54.62 -28.64 48.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.653 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.422 ' HB2' ' HH ' ' A' ' 8' ' ' TYR . 87.8 m-20 -93.6 -51.56 4.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.577 -177.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.494 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 57.2 mmtt -106.84 -19.76 13.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.659 -176.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.682 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.0 m80 70.79 48.52 0.41 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.603 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.562 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -88.47 -163.13 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.494 178.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.54 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 18.0 mmt180 -86.07 -53.26 5.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.574 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 39.3 m -128.1 -78.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.583 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.594 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 86.75 56.08 2.3 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -74.44 173.55 10.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.737 0.303 . . . . 0.0 110.646 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.539 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 65.4 m -81.67 151.62 27.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.586 -178.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 46' ' ' GLN . 57.5 m-85 -143.0 148.57 36.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.67 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.491 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 16.6 m-85 -93.82 109.36 21.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.497 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -82.01 -161.34 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.549 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -68.58 -40.31 80.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.599 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -74.69 2.95 8.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.565 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.1 mmm-85 59.76 35.13 22.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.68 ' ND2' HE21 ' A' ' 46' ' ' GLN . 14.5 p-10 -107.96 120.69 43.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.55 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.491 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 6.0 mt -51.52 113.47 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.68 HE21 ' ND2' ' A' ' 44' ' ' ASN . 34.4 mm-40 -121.94 140.65 52.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.504 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 76.1 m -84.3 122.38 28.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.62 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.424 ' CD1' ' CG ' ' A' ' 38' ' ' PHE . 46.9 mt -103.96 91.75 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.6 106.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.561 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.916 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 19.0 p30 -92.65 121.36 34.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.547 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.64 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 46.7 m-85 -100.11 62.92 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.639 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.64 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 6.2 m -170.91 -172.86 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -94.58 80.36 3.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.576 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.597 179.739 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.659 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 18.6 m . . . . . 0 CA--C 1.517 -0.324 0 CA-C-O 117.325 -1.322 . . . . 0.0 112.168 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -132.19 136.02 46.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 119.641 1.109 . . . . 0.0 110.604 -178.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -135.94 116.08 13.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.602 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.5 p -76.39 137.78 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.542 -177.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.625 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.4 m-85 -84.8 135.51 34.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.569 178.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.524 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 36.0 mp0 -118.17 136.29 53.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.516 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 68.38 58.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 179.244 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -131.35 152.57 80.76 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.78 123.72 12.81 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.845 2.363 . . . . 0.0 112.166 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.1 m -77.62 -44.76 29.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.573 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.446 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 22.6 m -51.0 -38.06 48.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.566 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -71.75 -30.33 65.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.591 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -60.17 -16.04 29.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.598 179.808 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.446 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.5 pt20 -63.81 -0.69 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.516 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.574 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.5 mt -127.01 89.81 3.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.527 179.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.448 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -43.73 -14.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.618 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.597 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 98.6 m-20 -85.26 -36.22 21.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.651 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 18' ' ' LEU . 85.9 mm-40 -75.62 -49.28 18.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.59 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 2.7 t -56.46 -57.68 11.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.726 -178.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.597 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 21.6 p-10 -56.11 -43.27 77.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.718 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -59.78 -47.27 86.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.678 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -63.8 -41.91 97.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.7 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.625 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -53.69 -50.58 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.638 -179.689 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.622 ' O ' ' N ' ' A' ' 31' ' ' HIS . 43.0 mtpt -65.47 -51.65 58.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.665 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.3 mt -56.09 -28.5 57.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.656 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -92.48 -54.39 3.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.604 -177.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.503 ' C ' ' CG ' ' A' ' 31' ' ' HIS . 53.2 mmtt -104.63 -20.22 13.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.574 -176.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.622 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.1 m80 73.14 48.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.642 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.549 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -87.72 -165.53 1.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.516 178.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.614 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 20.0 mmt-85 -83.95 -53.43 5.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.561 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.42 ' OG ' ' OH ' ' A' ' 54' ' ' TYR . 19.3 m -127.88 -75.97 0.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.66 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.736 ' O ' ' SG ' ' A' ' 47' ' ' CYS . . . 86.51 61.15 1.65 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -79.61 168.12 19.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.719 0.295 . . . . 0.0 110.629 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.578 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 73.5 m -81.02 147.76 30.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.499 -178.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.516 ' N ' ' O ' ' A' ' 46' ' ' GLN . 65.0 m-85 -139.68 148.18 42.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.667 178.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.45 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 15.8 m-85 -92.14 109.75 21.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.518 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.428 ' OD2' ' OE1' ' A' ' 46' ' ' GLN . 88.0 m-20 -85.87 -161.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.583 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -72.33 -39.62 68.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.596 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -71.07 2.34 4.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.615 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.8 mmm-85 58.86 29.7 19.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.677 HD22 ' NE2' ' A' ' 46' ' ' GLN . 17.5 p-10 -109.2 114.97 29.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.45 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 5.8 mt -46.02 116.83 1.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.677 ' NE2' HD22 ' A' ' 44' ' ' ASN . 3.2 mt-30 -122.01 142.12 50.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.736 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -86.72 124.76 33.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.553 179.561 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.43 ' CD1' ' CG ' ' A' ' 38' ' ' PHE . 63.0 mt -102.35 91.01 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.495 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.79 114.22 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.567 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.836 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 11.0 p30 -102.63 133.05 48.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.639 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 61.4 m-85 -110.82 63.07 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.581 178.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.639 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 10.0 m -169.07 -171.66 1.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.545 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -100.74 80.04 2.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.577 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.422 ' CD2' ' OD2' ' A' ' 50' ' ' ASP . 33.3 p90 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.525 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.635 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 24.4 m . . . . . 0 CA--C 1.517 -0.305 0 CA-C-O 117.266 -1.35 . . . . 0.0 111.845 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -130.78 132.41 45.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 119.715 1.143 . . . . 0.0 110.561 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -128.45 112.48 14.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.622 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.431 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 41.3 t -75.11 135.97 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.523 -177.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.618 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.8 m-85 -87.63 126.33 34.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 178.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 7' ' ' VAL . 50.8 mp0 -107.73 134.34 50.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.645 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.469 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.53 59.47 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.592 179.01 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -131.76 132.63 23.43 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.505 178.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -45.94 124.23 7.01 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.816 2.344 . . . . 0.0 112.192 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.426 ' CG2' ' N ' ' A' ' 14' ' ' SER . 17.4 m -76.89 -43.24 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.45 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 28.1 m -50.22 -37.46 35.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -69.18 -31.32 69.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.505 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -7.35 21.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.45 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.4 pt20 -64.37 -7.07 8.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.535 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.573 ' C ' ' H ' ' A' ' 20' ' ' ASN . 7.8 mt -126.45 98.32 5.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.494 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.94 -10.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.605 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 97.7 m-20 -84.7 -40.19 17.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 18' ' ' LEU . 76.7 mm-40 -73.56 -45.62 52.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.639 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.588 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 19.0 t -54.84 -59.36 4.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.597 -179.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.605 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.6 p-10 -57.86 -46.54 84.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.686 -178.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -58.91 -57.66 12.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.67 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -52.51 -40.08 62.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.706 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.618 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -55.21 -49.45 71.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.662 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.682 ' O ' ' N ' ' A' ' 31' ' ' HIS . 36.9 mtmt -65.32 -50.89 63.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.706 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.1 mt -54.82 -28.33 48.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.658 -178.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.419 ' HB2' ' HH ' ' A' ' 8' ' ' TYR . 84.8 m-20 -94.09 -52.13 4.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.583 -177.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.498 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 35.3 mmtm -109.03 -15.32 14.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.583 -175.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.682 ' N ' ' O ' ' A' ' 27' ' ' LYS . 39.9 m-70 65.04 53.67 1.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.638 179.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.565 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -93.53 -169.22 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.542 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.578 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 17.4 mmt85 -77.32 -53.45 7.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.567 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.604 ' HG ' ' H ' ' A' ' 35' ' ' GLY . 5.8 p -130.12 -77.8 0.54 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.588 178.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.604 ' H ' ' HG ' ' A' ' 34' ' ' SER . . . 87.4 54.81 2.46 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -73.4 173.79 9.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.773 0.321 . . . . 0.0 110.676 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.562 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 63.1 m -82.72 151.42 26.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.561 -178.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' GLN . 56.5 m-85 -142.33 144.78 33.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.646 177.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.439 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 17.7 m-85 -90.96 109.64 20.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.581 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.529 ' OD2' ' NE2' ' A' ' 46' ' ' GLN . 81.8 m-20 -88.22 -158.65 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.582 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -72.38 -39.63 67.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.546 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -71.75 3.92 3.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.553 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.7 mtm180 57.32 18.25 4.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.605 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 44' ' ' ASN . 17.9 p-10 -97.78 114.87 27.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.581 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.439 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 5.9 mt -46.31 118.72 2.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.569 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.529 ' NE2' ' OD2' ' A' ' 40' ' ' ASP . 12.6 mt-30 -121.77 139.65 53.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.492 179.489 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 78.4 m -84.66 123.05 29.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.607 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.409 ' CD1' ' CG ' ' A' ' 38' ' ' PHE . 42.9 mt -103.94 91.54 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.558 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.29 107.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.556 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.857 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 17.1 p30 -96.62 127.55 42.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.522 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.641 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 62.4 m-85 -104.73 62.82 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.667 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.641 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 8.5 m -169.46 -173.2 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.563 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -98.39 79.81 2.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.647 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.0 p90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.563 179.69 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.699 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 16.1 m . . . . . 0 CA--C 1.534 0.358 0 CA-C-O 117.073 -1.442 . . . . 0.0 111.429 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -133.59 134.68 43.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 119.922 1.237 . . . . 0.0 110.599 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -134.07 114.07 12.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.55 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.9 t -74.28 137.15 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.514 -177.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.623 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.7 m-85 -87.52 125.14 34.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.62 177.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -106.03 135.87 46.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.59 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.472 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 66.1 58.16 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.573 179.21 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -130.41 131.44 23.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.52 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -46.02 123.97 6.84 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.83 2.353 . . . . 0.0 112.192 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.9 m -76.73 -42.8 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.553 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.457 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 24.6 m -50.05 -37.97 35.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.544 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -70.77 -31.8 68.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.509 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -7.07 17.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.635 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.457 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.4 pt20 -64.8 -7.87 12.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.554 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.558 ' C ' ' H ' ' A' ' 20' ' ' ASN . 7.5 mt -123.47 98.74 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.517 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.494 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -46.01 -11.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.617 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.608 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 100.0 m-20 -84.93 -41.22 16.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -72.85 -44.3 61.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.628 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.578 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 28.1 t -55.63 -59.38 4.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.643 -179.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.608 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.5 p-10 -58.88 -45.82 89.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.66 -178.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -58.54 -57.58 12.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.696 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -53.5 -41.21 66.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.712 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.623 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -54.55 -50.58 67.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.725 -179.808 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.69 ' O ' ' N ' ' A' ' 31' ' ' HIS . 45.5 mtpt -64.66 -51.96 59.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.637 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.5 mt -54.72 -28.24 46.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.642 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -91.99 -52.77 4.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.552 -178.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.499 ' C ' ' CG ' ' A' ' 31' ' ' HIS . 55.6 mmtt -107.67 -19.44 13.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.605 -176.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.69 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.0 m80 72.51 47.59 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.619 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.569 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -87.19 -164.45 1.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.527 178.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.535 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 11.7 mmt-85 -85.88 -52.78 5.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.563 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.45 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 36.2 m -127.7 -78.52 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.67 178.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.578 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 86.25 55.77 2.42 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 178.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -73.93 173.64 9.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 0.0 110.673 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.571 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 68.7 m -81.57 152.01 27.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.509 -178.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' GLN . 64.6 m-85 -144.32 150.03 37.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.6 177.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.478 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 16.7 m-85 -95.47 108.71 20.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.509 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -80.19 -157.68 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.573 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -69.13 -39.67 78.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.565 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -76.55 7.89 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.569 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 59.03 17.9 5.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.606 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.64 ' ND2' ' NE2' ' A' ' 46' ' ' GLN . 12.4 p-10 -88.33 133.76 33.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.652 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.478 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 6.1 mt -66.13 116.6 7.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.587 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.64 ' NE2' ' ND2' ' A' ' 44' ' ' ASN . 97.1 mm-40 -126.33 142.97 51.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.568 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.8 m -85.44 124.21 31.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.594 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.4 ' CD1' ' CG ' ' A' ' 38' ' ' PHE . 51.5 mt -103.67 91.49 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.556 179.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.44 110.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.597 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.881 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 17.5 p30 -98.14 125.01 42.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.699 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 54.2 m-85 -103.23 61.04 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.636 178.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -156.92 -175.65 5.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.636 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.8 mp0 -88.28 81.9 7.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.546 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.438 ' CE2' ' OG ' ' A' ' 34' ' ' SER . 43.1 p90 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.542 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.614 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 27.6 m . . . . . 0 CA--C 1.517 -0.316 0 CA-C-O 117.247 -1.359 . . . . 0.0 112.11 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -130.08 130.29 44.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 119.776 1.171 . . . . 0.0 110.55 -178.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -126.27 112.42 15.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.64 177.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.433 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 45.4 t -75.69 136.45 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.491 -177.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.611 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.9 m-85 -87.81 125.48 34.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.619 178.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 7' ' ' VAL . 50.9 mp0 -106.83 135.1 48.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.607 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.472 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.7 OUTLIER 66.35 59.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.559 179.225 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -131.58 132.65 23.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.571 178.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -45.97 123.88 6.68 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.858 2.372 . . . . 0.0 112.116 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.406 ' CG2' ' N ' ' A' ' 14' ' ' SER . 22.7 m -76.39 -43.52 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.606 179.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.446 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 22.9 t -49.74 -37.73 30.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.58 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -68.71 -31.16 70.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.53 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -7.22 22.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.446 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.2 pt20 -64.82 -7.1 9.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.524 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.559 ' C ' ' H ' ' A' ' 20' ' ' ASN . 7.5 mt -127.15 98.96 5.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.522 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.483 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.71 -11.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.606 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.607 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.8 m-20 -83.75 -40.08 19.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.582 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 18' ' ' LEU . 80.6 mm-40 -74.03 -45.12 51.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.557 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.583 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 34.7 t -54.33 -58.95 5.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.692 -179.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.607 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 11.0 p-10 -59.42 -47.42 85.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.681 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' A' ' 20' ' ' ASN . 4.8 m-85 -56.71 -58.67 7.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.665 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -52.49 -40.4 62.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.731 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.611 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.92 -49.3 71.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.654 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.711 ' O ' ' N ' ' A' ' 31' ' ' HIS . 27.9 mttp -63.74 -54.04 41.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.713 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.1 mt -54.66 -28.83 50.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.719 -177.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -90.41 -49.26 6.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.61 -177.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.495 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 63.7 mmtt -114.11 -20.4 10.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.644 -175.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.711 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.2 m80 71.55 57.45 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.624 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.62 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -97.21 -167.81 1.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.503 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.532 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 12.2 mmm180 -83.35 -51.45 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.614 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.462 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 28.4 m -126.66 -78.39 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.586 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.583 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 86.82 53.84 2.77 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -75.06 171.54 13.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 110.673 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 68.0 m -81.95 151.61 27.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.538 -178.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.479 ' CG ' ' CD1' ' A' ' 48' ' ' ILE . 48.1 m-85 -141.19 147.53 38.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.549 177.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.47 ' CE2' ' CD2' ' A' ' 45' ' ' LEU . 18.2 m-85 -96.06 108.78 21.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.52 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -85.53 -160.02 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -69.16 -39.48 78.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.62 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -71.98 4.38 3.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.631 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 58.67 18.23 5.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.575 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.719 HD22 HE21 ' A' ' 46' ' ' GLN . 12.0 p-10 -94.18 130.35 40.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.59 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.47 ' CD2' ' CE2' ' A' ' 39' ' ' TYR . 4.7 mt -61.99 117.88 6.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.613 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.719 HE21 HD22 ' A' ' 44' ' ' ASN . 71.4 mt-30 -122.03 138.3 54.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.634 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 69.5 m -83.43 122.43 28.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.479 ' CD1' ' CG ' ' A' ' 38' ' ' PHE . 41.2 mt -103.24 92.41 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.0 104.23 0.35 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.569 179.218 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.899 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 21.0 p30 -90.56 119.89 31.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.484 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.625 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 43.9 m-85 -97.67 63.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.625 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 6.0 m -170.13 -174.82 1.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.632 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mp0 -82.21 80.02 8.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.603 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.559 179.392 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.62 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 32.5 m . . . . . 0 CA--C 1.518 -0.28 0 CA-C-O 117.032 -1.461 . . . . 0.0 112.054 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.488 ' NZ ' ' CB ' ' A' ' 5' ' ' LYS . 4.9 mtpm? -137.73 137.38 38.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 119.914 1.234 . . . . 0.0 110.589 -178.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.416 ' NZ ' ' CB ' ' A' ' 6' ' ' LYS . 6.9 mtpm? -133.72 116.92 16.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.593 178.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.3 t -74.48 137.22 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.545 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.629 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.8 m-85 -87.17 124.11 32.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.566 177.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -105.98 135.27 47.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.481 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.32 57.7 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.593 179.135 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -130.87 135.69 27.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.522 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -45.71 124.29 6.76 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.784 2.323 . . . . 0.0 112.192 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 t -76.8 -46.5 30.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.562 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.437 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 22.8 t -49.72 -37.03 27.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.578 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -66.22 -31.13 71.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.569 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -10.88 34.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.585 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.437 ' OE1' ' O ' ' A' ' 14' ' ' SER . 9.1 pt20 -64.55 -3.34 3.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.548 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.563 ' C ' ' H ' ' A' ' 20' ' ' ASN . 7.8 mt -129.67 96.28 4.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.487 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.501 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.77 -11.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.561 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.617 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.6 m-20 -84.24 -41.44 16.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.561 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -72.91 -44.1 61.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.56 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.566 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 35.3 t -54.91 -59.26 4.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.702 -179.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.617 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 12.4 p-10 -59.75 -44.12 93.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.638 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -59.75 -57.41 13.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.669 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -53.57 -42.18 67.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.678 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.629 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -53.49 -49.76 66.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.753 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.687 ' O ' ' N ' ' A' ' 31' ' ' HIS . 46.7 mtpt -66.12 -50.29 64.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.687 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.9 mt -54.89 -28.02 47.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.613 -178.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -94.62 -52.0 4.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.622 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.512 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 55.1 mmtt -107.62 -17.02 14.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.618 -176.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.687 ' N ' ' O ' ' A' ' 27' ' ' LYS . 42.0 m-70 66.28 50.59 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.593 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.54 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -88.61 -163.7 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.524 178.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.579 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 30.6 mmt-85 -83.86 -53.15 5.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.62 178.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 36.9 m -128.84 -78.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.559 178.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.566 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.1 55.78 2.31 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -75.96 173.9 10.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 110.667 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.528 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 85.3 m -81.74 149.92 28.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.557 -178.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 46' ' ' GLN . 88.1 m-85 -146.25 146.38 30.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.561 177.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.505 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 13.2 m-85 -89.78 111.33 22.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.584 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -90.82 -160.23 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.624 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -82.73 11.04 6.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.59 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -111.51 3.75 18.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 56.05 17.15 2.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.564 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.602 ' OD1' ' C ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -114.0 120.7 41.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.643 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.505 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 9.4 mt -47.66 122.75 5.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.537 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' A' ' 44' ' ' ASN . 17.5 mt-30 -125.17 141.17 52.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.53 179.121 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.0 m -85.33 123.8 31.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.644 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.7 mt -106.51 93.59 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.678 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.67 111.72 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.558 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.893 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 17.2 p30 -97.73 124.91 42.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.612 179.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.648 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 48.2 m-85 -103.38 62.62 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.63 179.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.648 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.9 m -169.93 -173.6 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.638 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -95.45 79.75 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.513 179.645 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.568 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 37.2 m . . . . . 0 CA--C 1.522 -0.112 0 CA-C-O 117.009 -1.472 . . . . 0.0 111.867 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -132.15 138.71 48.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 119.908 1.231 . . . . 0.0 110.599 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -135.52 115.93 13.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.574 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.43 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 22.9 t -75.93 138.16 21.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.51 -177.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.627 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.8 m-85 -87.19 126.29 34.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.584 177.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.434 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 52.6 mp0 -103.7 131.68 50.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.595 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 61.84 73.57 0.47 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.589 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -139.12 144.14 39.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.494 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -46.16 123.4 6.39 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.877 2.385 . . . . 0.0 112.248 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 14' ' ' SER . 7.4 p -78.94 -48.88 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.51 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.459 ' HG ' ' N ' ' A' ' 15' ' ' LYS . 90.1 p -50.32 -35.29 26.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.516 -178.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.459 ' N ' ' HG ' ' A' ' 14' ' ' SER . 26.6 mmtm -67.76 -30.76 70.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.447 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' C ' ' H ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -65.13 -15.01 61.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.572 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.411 ' CG ' ' O ' ' A' ' 14' ' ' SER . 11.9 pt20 -64.75 -1.89 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.533 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.591 ' C ' ' H ' ' A' ' 20' ' ' ASN . 7.9 mt -131.95 96.54 3.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.538 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.447 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.04 -12.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.627 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.614 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 98.6 m-20 -82.06 -39.88 22.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.604 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' LEU . 92.1 mm-40 -74.54 -46.6 37.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.624 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.592 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 43.3 t -52.54 -59.44 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.64 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.614 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 14.5 p-10 -59.67 -46.74 88.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.747 -178.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.407 ' HB2' ' O ' ' A' ' 20' ' ' ASN . 4.7 m-85 -56.95 -59.06 5.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.714 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -52.61 -41.9 64.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.683 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.627 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.72 -48.85 71.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.637 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.688 ' O ' ' N ' ' A' ' 31' ' ' HIS . 30.5 mttp -64.93 -52.91 53.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.597 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.7 mt -54.67 -28.98 51.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.615 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -92.35 -50.22 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.629 -177.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.507 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 58.2 mmtt -112.23 -18.37 12.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.617 -176.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.688 ' N ' ' O ' ' A' ' 27' ' ' LYS . 42.0 m-70 66.6 60.11 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.602 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.575 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -96.98 -166.65 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.526 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.565 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 13.1 mmt85 -84.16 -49.8 8.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.619 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 38.0 m -127.16 -79.06 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.592 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.87 55.23 2.31 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -78.61 171.98 14.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.658 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.521 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 83.0 m -82.45 150.87 26.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.546 -178.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 46' ' ' GLN . 62.3 m-85 -142.32 146.82 35.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.632 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.517 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 14.8 m-85 -92.71 109.69 21.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.539 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.43 ' OD2' ' OE1' ' A' ' 46' ' ' GLN . 69.6 m-20 -85.71 -150.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.58 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.598 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 1.9 pm0 -80.13 -40.94 26.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.594 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -70.93 3.14 3.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.605 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 mmm-85 57.04 32.24 21.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.555 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.668 HD22 ' NE2' ' A' ' 46' ' ' GLN . 17.2 p-10 -110.21 116.79 32.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.58 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.517 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 10.3 mt -46.14 114.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.518 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.668 ' NE2' HD22 ' A' ' 44' ' ' ASN . 3.1 mt-30 -119.16 139.01 52.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 65.3 m -83.57 123.57 29.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.685 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.9 mt -105.97 94.38 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.56 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.7 111.33 2.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.583 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.863 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 17.5 p30 -98.45 127.63 44.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.509 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.65 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 58.8 m-85 -105.62 62.99 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.559 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.65 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.4 m -170.45 -172.63 1.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.552 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -93.22 79.88 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.615 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.542 179.692 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.564 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 35.2 m . . . . . 0 CA--C 1.519 -0.228 0 CA-C-O 117.103 -1.427 . . . . 0.0 112.446 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -129.59 131.22 46.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 119.824 1.193 . . . . 0.0 110.568 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -126.17 112.07 15.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.609 177.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.0 t -75.65 135.9 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.481 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.627 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 3.0 m-85 -86.38 135.47 33.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.598 177.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -119.02 135.46 54.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.6 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.523 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.72 60.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.604 179.432 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -132.04 153.23 81.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.51 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.88 123.87 13.43 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.774 2.316 . . . . 0.0 112.26 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.517 ' CG1' ' N ' ' A' ' 14' ' ' SER . 9.9 p -76.49 -46.19 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.533 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.517 ' N ' ' CG1' ' A' ' 13' ' ' VAL . 24.6 m -51.44 -35.69 40.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.534 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.0 mmtm -66.22 -32.73 74.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.515 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -10.58 28.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.539 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' A' ' 14' ' ' SER . 9.6 pt20 -64.01 -4.46 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.577 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.593 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.9 mt -130.99 96.59 4.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.62 179.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.47 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.26 -12.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.588 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.6 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 95.2 m-20 -83.05 -38.86 21.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 18' ' ' LEU . 91.2 mm-40 -74.31 -46.84 38.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.594 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.583 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 34.2 t -53.68 -58.68 6.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.709 -179.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.6 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 12.4 p-10 -59.53 -44.66 93.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.624 -178.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -59.56 -56.47 21.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.688 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.74 -42.55 68.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.718 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.627 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.14 -50.41 67.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.655 -179.816 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.676 ' O ' ' N ' ' A' ' 31' ' ' HIS . 25.1 mtmt -66.21 -49.59 66.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.697 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.8 mt -54.93 -29.11 55.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.616 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -96.4 -50.1 4.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.586 -177.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.505 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 56.6 mmtt -107.05 -16.82 14.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.584 -176.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.676 ' N ' ' O ' ' A' ' 27' ' ' LYS . 37.1 m-70 63.83 49.82 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.613 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.518 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -88.68 -163.47 0.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.546 178.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.569 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 18.1 mmm180 -82.64 -54.22 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.553 179.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.465 ' HG ' ' HH ' ' A' ' 54' ' ' TYR . 33.4 m -128.78 -78.3 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.603 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.583 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 88.03 56.43 2.07 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 178.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -76.47 174.3 10.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.575 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.509 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 71.1 m -82.76 150.34 26.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.543 -178.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' GLN . 83.4 m-85 -145.43 141.45 28.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.601 177.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.498 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 14.0 m-85 -85.46 120.08 26.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 -178.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.452 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 54.3 p-10 -97.46 -151.26 0.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.611 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.43 ' OE1' ' N ' ' A' ' 41' ' ' GLU . 52.6 mp0 -79.4 -39.74 31.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -70.15 3.39 2.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.599 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.422 ' H ' ' C ' ' A' ' 41' ' ' GLU . 3.4 mmm180 56.31 30.12 16.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.528 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.761 HD22 HE21 ' A' ' 46' ' ' GLN . 12.9 p-10 -113.04 120.21 40.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 179.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.498 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 10.9 mt -46.46 117.08 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.563 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.761 HE21 HD22 ' A' ' 44' ' ' ASN . 19.2 mt-30 -118.04 140.06 50.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.594 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 66.9 m -86.16 123.1 31.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.568 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.6 mt -107.32 93.87 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.35 104.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.523 179.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.897 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 21.7 p30 -88.43 113.96 24.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.592 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.653 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 32.9 m-85 -92.97 62.31 3.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.631 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.653 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 5.1 m -172.16 -174.51 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.558 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -89.84 80.18 6.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.587 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.465 ' HH ' ' HG ' ' A' ' 34' ' ' SER . 81.8 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.575 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 51.7 p30 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.822 0.344 . . . . 0.0 110.564 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.425 ' C ' ' H ' ' A' ' 5' ' ' LYS . 24.2 pttm -62.65 -25.82 68.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.598 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.613 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 34.6 m -67.55 36.25 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 117.095 -1.431 . . . . 0.0 112.18 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' A' ' 3' ' ' LYS . 30.9 mmtp -130.8 137.63 49.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 119.86 1.209 . . . . 0.0 110.593 -178.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -135.11 116.38 14.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.55 178.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.9 t -76.59 137.08 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.495 -177.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.633 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.7 m-85 -85.95 125.85 33.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.587 177.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -107.35 135.33 49.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.462 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.7 OUTLIER 66.03 59.56 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.626 179.171 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -131.33 133.59 24.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.551 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -46.37 124.0 7.34 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.846 2.364 . . . . 0.0 112.176 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.1 m -76.56 -42.24 34.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.531 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.449 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 33.4 t -50.58 -38.28 44.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.548 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -68.39 -31.0 70.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.536 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -7.05 27.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.449 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.1 pt20 -64.35 -6.25 6.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.492 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.574 ' C ' ' H ' ' A' ' 20' ' ' ASN . 7.7 mt -128.88 99.67 5.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.591 178.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.478 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.58 -11.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.581 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.603 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.6 m-20 -84.57 -40.27 17.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.558 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 18' ' ' LEU . 80.4 mm-40 -73.21 -44.55 59.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.625 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.605 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 19.5 t -55.8 -58.89 5.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.694 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.603 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.4 p-10 -59.19 -43.73 92.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.678 -178.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -60.49 -54.8 41.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.709 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -56.25 -41.8 76.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.686 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.633 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -53.78 -49.78 67.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.625 -179.71 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.681 ' O ' ' N ' ' A' ' 31' ' ' HIS . 45.2 mtpt -66.61 -50.65 62.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.653 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.2 mt -54.84 -27.64 43.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.632 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -94.93 -52.36 4.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.596 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.509 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 35.1 mmtm -107.32 -17.22 14.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.6 -176.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.681 ' N ' ' O ' ' A' ' 27' ' ' LYS . 42.0 m-70 66.67 54.42 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.569 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.588 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -92.97 -162.95 0.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.487 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.605 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 19.7 mmt-85 -84.45 -52.82 5.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.572 178.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.432 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 28.4 m -129.09 -78.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.591 178.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.605 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 86.34 56.03 2.36 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -75.08 173.68 10.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.327 . . . . 0.0 110.666 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.542 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 62.8 m -81.3 151.99 27.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.578 -178.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 46' ' ' GLN . 57.4 m-85 -143.12 144.13 32.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.612 177.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.488 ' CE2' ' CD2' ' A' ' 45' ' ' LEU . 21.3 m-85 -92.57 109.95 21.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.553 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.427 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 49.9 p-10 -87.2 -155.14 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.631 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.5 mp0 -73.13 -38.69 66.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.605 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -72.19 3.81 4.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.609 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 58.9 17.45 5.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.58 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.647 HD22 HE21 ' A' ' 46' ' ' GLN . 8.8 p-10 -95.16 131.64 40.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.562 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.488 ' CD2' ' CE2' ' A' ' 39' ' ' TYR . 7.7 mt -60.5 117.37 5.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.56 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.647 HE21 HD22 ' A' ' 44' ' ' ASN . 95.5 mt-30 -120.96 137.04 54.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.528 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.3 m -84.49 120.8 26.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.42 ' CD1' ' CG ' ' A' ' 38' ' ' PHE . 50.1 mt -102.66 92.56 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.49 112.3 2.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.57 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.898 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 16.5 p30 -99.49 124.69 44.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.523 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.643 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 59.4 m-85 -103.23 62.62 0.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.579 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.643 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.2 m -170.58 -173.04 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.605 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -98.38 79.57 2.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.57 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.61 179.659 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.774 0.321 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -65.59 -45.6 82.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.0 m -99.19 -18.04 17.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.519 ' HZ1' ' CB ' ' A' ' 50' ' ' ASP . 63.4 mmtt -85.25 132.92 34.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.607 -176.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -131.91 119.18 20.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.561 177.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.413 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 59.8 t -76.17 137.14 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.509 -177.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.641 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.4 m-85 -85.46 128.06 34.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.628 177.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.507 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 55.9 mp0 -107.29 132.56 52.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.615 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.483 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.7 OUTLIER 64.84 67.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.561 178.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -136.3 135.39 20.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.583 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -46.11 123.72 6.68 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.797 2.331 . . . . 0.0 112.169 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.407 ' CG2' ' N ' ' A' ' 14' ' ' SER . 24.8 m -77.5 -44.03 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.587 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.456 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 24.3 t -50.34 -37.92 39.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.541 -179.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -69.19 -32.02 71.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.536 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.7 OUTLIER -70.12 -5.42 26.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.581 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.456 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.7 pt20 -62.66 -8.43 6.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.531 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.8 mt -126.66 102.96 7.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.576 178.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.485 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.16 -13.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.588 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.573 ' N ' ' O ' ' A' ' 18' ' ' LEU . 96.1 m-20 -83.77 -36.91 23.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.564 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 18' ' ' LEU . 83.5 mm-40 -74.16 -47.36 36.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.573 ' SG ' ' N ' ' A' ' 37' ' ' CYS . 35.0 t -53.02 -58.78 5.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.697 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.567 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.7 p-10 -59.16 -44.84 92.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.691 -178.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -58.75 -55.53 33.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.637 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -55.07 -41.38 71.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.71 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.641 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -55.32 -50.15 70.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.649 -179.818 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.623 ' O ' ' N ' ' A' ' 31' ' ' HIS . 5.1 mtpm? -64.44 -53.52 46.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.645 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.6 mt -56.23 -27.88 56.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.666 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.409 ' HB2' ' HH ' ' A' ' 8' ' ' TYR . 80.5 m-20 -90.16 -56.22 3.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.633 -177.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.521 ' C ' ' CG ' ' A' ' 31' ' ' HIS . 52.6 mmtt -105.27 -20.23 13.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.615 -176.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.623 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.3 m80 74.21 51.08 0.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.573 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.537 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -91.64 -165.92 1.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.55 178.176 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.595 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 14.1 mmt180 -81.96 -54.04 5.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.618 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 58.4 m -128.67 -77.38 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.629 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.51 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 85.64 54.87 2.68 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 177.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.491 ' C ' ' SG ' ' A' ' 22' ' ' CYS . 77.7 mm-40 -71.85 163.79 27.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.349 . . . . 0.0 110.588 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.573 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -89.59 148.56 23.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.585 -178.483 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -134.39 157.52 46.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.657 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.407 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 11.1 m-85 -95.33 112.01 23.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.572 -179.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -92.63 -159.97 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.527 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.8 mp0 -71.1 -39.73 71.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.583 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -71.83 3.85 3.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.558 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 57.7 16.96 3.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.544 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.673 HD22 ' NE2' ' A' ' 46' ' ' GLN . 17.9 p-10 -99.21 113.6 25.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.58 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.407 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 3.4 mt -47.85 124.4 7.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.574 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.673 ' NE2' HD22 ' A' ' 44' ' ' ASN . 17.2 mt-30 -123.7 130.78 53.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.574 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.413 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 67.5 m -78.33 120.93 23.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.576 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.9 mt -101.63 89.68 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.531 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.34 117.77 5.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.542 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.967 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 18.4 p30 -105.91 115.79 30.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.572 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.6 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 61.0 m-85 -95.93 60.6 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.581 178.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.6 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.4 m -168.55 -174.87 2.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.588 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -100.09 79.27 2.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.53 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 43.9 p90 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.621 179.424 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 52.6 p30 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.839 0.352 . . . . 0.0 110.559 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.422 ' C ' ' H ' ' A' ' 5' ' ' LYS . 18.5 pttp -63.36 -25.93 68.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.552 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.631 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 28.8 m -68.34 37.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 117.172 -1.394 . . . . 0.0 111.908 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.422 ' H ' ' C ' ' A' ' 3' ' ' LYS . 68.9 mmtt -130.9 138.49 49.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 119.708 1.14 . . . . 0.0 110.607 -178.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.432 ' NZ ' ' CB ' ' A' ' 6' ' ' LYS . 6.8 mtpm? -135.23 115.15 13.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.683 178.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.432 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 61.0 t -75.28 137.97 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.556 -177.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.602 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 3.0 m-85 -86.41 132.13 34.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.545 177.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 54.4 mp0 -114.87 133.46 55.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 179.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.524 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.14 64.07 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.529 179.058 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -133.91 152.96 79.57 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.508 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.84 123.61 13.31 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.813 2.342 . . . . 0.0 112.153 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.6 t -78.3 -48.83 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.589 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.454 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 20.4 m -50.03 -36.33 28.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 -178.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -70.53 -30.33 67.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.513 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.5 OUTLIER -69.34 -6.5 30.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.55 179.678 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.454 ' OE1' ' O ' ' A' ' 14' ' ' SER . 11.1 pt20 -62.5 -7.9 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.512 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.572 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.8 mt -125.49 101.72 7.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.529 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.468 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.23 -13.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.608 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.59 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 97.2 m-20 -83.04 -37.43 23.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.602 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 18' ' ' LEU . 93.1 mm-40 -74.38 -47.04 36.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.55 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.565 ' SG ' ' N ' ' A' ' 37' ' ' CYS . 36.7 t -52.76 -59.1 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.676 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.59 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 15.1 p-10 -59.27 -46.82 87.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.652 -178.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -55.5 -59.44 4.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.686 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -52.7 -39.99 62.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.648 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.602 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.73 -49.14 71.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.634 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.688 ' O ' ' N ' ' A' ' 31' ' ' HIS . 24.4 mttp -63.98 -54.53 32.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.645 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 72.0 mt -54.73 -28.43 48.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.632 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -91.74 -51.0 5.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.614 -177.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.495 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 54.9 mmtt -110.32 -21.16 12.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 -176.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.688 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.2 m80 72.26 52.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.62 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.544 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -93.37 -170.44 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.482 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.566 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 9.9 mmt85 -81.06 -52.46 7.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.589 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 37.5 m -125.46 -77.69 0.59 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.65 178.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.517 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 84.02 51.94 3.81 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.485 ' C ' ' SG ' ' A' ' 22' ' ' CYS . 77.9 mm-40 -72.84 163.33 28.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 110.589 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.565 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -87.14 146.4 26.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.549 -178.826 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -131.22 157.54 42.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.543 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 6.8 m-85 -93.78 114.58 26.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.551 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.445 ' OD2' ' OE1' ' A' ' 46' ' ' GLN . 85.3 m-20 -94.73 -162.29 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.601 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -70.77 -40.03 72.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.654 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -70.98 2.7 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 57.94 28.59 16.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.561 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.671 HD22 ' NE2' ' A' ' 46' ' ' GLN . 17.7 p-10 -110.29 113.91 26.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.442 ' C ' ' SG ' ' A' ' 37' ' ' CYS . 12.3 mt -46.58 120.87 3.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.556 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.671 ' NE2' HD22 ' A' ' 44' ' ' ASN . 6.8 mt-30 -122.17 133.5 54.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 68.5 m -79.38 124.56 28.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.628 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.2 mt -106.16 90.47 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.32 115.99 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.5 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.843 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 12.8 p30 -103.93 131.29 51.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.619 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 61.5 m-85 -109.92 63.33 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.621 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.619 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.5 m -169.06 -172.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.593 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.7 mp0 -98.75 79.31 2.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.574 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.586 179.623 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.814 0.34 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -64.13 -32.11 73.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.54 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.8 m -67.44 -21.33 65.56 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.828 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -81.99 135.31 35.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.578 -176.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.462 ' NZ ' ' CB ' ' A' ' 6' ' ' LYS . 7.0 mtpm? -133.09 115.91 15.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 177.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.4 t -73.16 136.99 24.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 -176.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.619 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.6 m-85 -85.9 132.61 34.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.551 177.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.52 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 57.2 mp0 -114.72 133.87 55.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.592 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.531 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.44 64.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.532 178.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -134.61 152.25 77.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.565 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -64.02 124.45 13.54 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.837 2.358 . . . . 0.0 112.176 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -77.59 -45.21 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.591 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.415 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 15.6 m -50.5 -37.67 40.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.592 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -71.73 -31.19 66.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.525 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.5 OUTLIER -69.25 -5.61 24.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.538 179.657 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.415 ' CG ' ' O ' ' A' ' 14' ' ' SER . 15.8 pt20 -62.81 -9.17 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.506 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.563 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.8 mt -123.73 102.67 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.496 179.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.448 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.52 -13.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.565 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.4 m-20 -83.81 -36.12 23.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.596 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 18' ' ' LEU . 89.2 mm-40 -75.08 -48.03 25.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.621 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.564 ' SG ' ' N ' ' A' ' 37' ' ' CYS . 38.4 t -52.23 -59.1 4.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 -179.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.565 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 13.0 p-10 -59.02 -44.95 91.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.716 -178.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -57.83 -58.58 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.658 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -52.66 -40.78 63.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.683 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.619 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.32 -47.91 71.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.624 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.669 ' O ' ' N ' ' A' ' 31' ' ' HIS . 27.5 mttp -66.02 -53.07 43.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.671 -179.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.4 mt -55.34 -28.68 55.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.68 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.4 ' HB2' ' HH ' ' A' ' 8' ' ' TYR . 79.4 m-20 -93.49 -50.82 5.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.569 -177.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.542 ' O ' ' OH ' ' A' ' 51' ' ' TYR . 54.1 mmtt -110.11 -19.46 13.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.621 -176.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.669 ' N ' ' O ' ' A' ' 27' ' ' LYS . 42.3 m-70 66.66 59.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.567 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.546 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -99.12 -167.16 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 179.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.546 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 12.5 mmt-85 -81.23 -52.64 7.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.636 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 9.9 m -126.73 -78.22 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.642 178.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.529 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 85.41 51.9 3.55 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 177.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.492 ' C ' ' SG ' ' A' ' 22' ' ' CYS . 78.3 mm-40 -72.78 163.01 28.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 110.66 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.564 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -89.53 147.72 23.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.559 -178.58 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -133.3 157.54 45.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.623 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.401 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 10.4 m-85 -94.87 111.49 23.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.569 -179.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.4 ' OD2' ' CD ' ' A' ' 46' ' ' GLN . 78.6 m-20 -93.04 -161.91 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.421 ' C ' ' H ' ' A' ' 43' ' ' ARG . 77.5 mm-40 -68.17 -36.38 79.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.568 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 44' ' ' ASN . 59.5 mttp -79.02 16.97 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.543 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.421 ' H ' ' C ' ' A' ' 41' ' ' GLU . 1.2 mmt180 44.37 18.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.523 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.61 HD22 ' NE2' ' A' ' 46' ' ' GLN . 16.3 p-10 -97.62 113.05 24.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.401 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 4.6 mt -48.38 122.95 5.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.601 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.61 ' NE2' HD22 ' A' ' 44' ' ' ASN . 17.4 mt-30 -122.22 131.1 53.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.617 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 65.0 m -78.36 123.31 26.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.557 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 70.6 mt -104.32 90.45 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.594 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.91 113.2 2.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.608 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.926 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 19.6 p30 -102.73 116.03 31.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.537 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.598 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 67.6 m-85 -95.33 60.08 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 177.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.598 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 8.7 m -168.04 -175.73 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 -178.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -98.8 79.08 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.631 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.9 p90 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.628 179.566 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.84 0.353 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -61.06 -34.86 75.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.615 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.611 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 33.3 m -70.28 36.84 0.04 OUTLIER 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 117.023 -1.465 . . . . 0.0 112.14 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -131.16 135.97 47.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 119.966 1.257 . . . . 0.0 110.533 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -133.88 115.8 14.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.596 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 p -76.62 137.32 22.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.528 -177.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.64 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.7 m-85 -84.64 130.84 34.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.557 178.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 48.2 mp0 -108.37 131.31 54.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.549 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.466 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 1.1 m-20 64.24 69.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 178.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -136.8 135.3 19.99 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.616 178.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -45.69 123.76 6.2 Favored 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 122.873 2.382 . . . . 0.0 112.168 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.0 m -76.9 -42.0 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.538 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.445 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 96.0 p -50.56 -37.4 39.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.568 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -69.15 -30.76 69.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.475 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.35 -7.03 33.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.602 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.445 ' OE1' ' O ' ' A' ' 14' ' ' SER . 9.5 pt20 -64.81 -7.11 9.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.596 ' C ' ' H ' ' A' ' 20' ' ' ASN . 7.7 mt -130.58 102.28 6.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.544 178.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.493 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -46.06 -9.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.605 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 98.6 m-20 -84.29 -40.67 17.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.623 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -73.22 -45.36 56.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.603 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.601 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 30.9 t -55.06 -59.04 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.681 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.605 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.8 p-10 -58.93 -45.15 91.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.627 -178.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -59.11 -56.76 18.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.66 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -54.12 -42.11 69.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.711 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.64 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.03 -49.68 68.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.656 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.686 ' O ' ' N ' ' A' ' 31' ' ' HIS . 6.2 mtpm? -65.65 -51.36 60.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.637 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.3 mt -55.0 -28.57 53.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.667 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -93.26 -52.6 4.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.583 -177.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.505 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 35.6 mmtm -108.08 -16.43 14.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.628 -176.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.686 ' N ' ' O ' ' A' ' 27' ' ' LYS . 42.0 m-70 66.12 52.47 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.638 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.546 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -90.81 -163.65 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.51 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.616 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 18.9 mmt180 -83.85 -53.38 5.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.568 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 30.9 m -128.33 -78.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.645 178.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.601 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.04 56.65 2.15 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 178.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -76.09 172.95 11.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 0.0 110.582 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.541 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 62.9 m -79.88 151.91 29.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.556 -178.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 46' ' ' GLN . 80.2 m-85 -147.37 143.31 27.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.586 178.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.56 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 20.0 m-85 -90.0 110.27 21.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.559 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.531 ' OD2' ' NE2' ' A' ' 46' ' ' GLN . 43.0 p-10 -82.46 -152.66 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.626 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.421 ' C ' ' H ' ' A' ' 43' ' ' ARG . 51.2 mp0 -73.74 -40.82 63.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.504 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -70.17 3.21 2.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.596 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.421 ' H ' ' C ' ' A' ' 41' ' ' GLU . 21.4 mmm-85 58.38 36.46 25.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.6 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.722 HD22 HE21 ' A' ' 46' ' ' GLN . 9.8 p-10 -112.48 146.42 38.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.628 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.56 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 7.0 mt -70.19 111.57 5.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.722 HE21 HD22 ' A' ' 44' ' ' ASN . 85.3 mt-30 -119.36 138.06 53.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.585 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.7 m -84.31 120.77 26.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.596 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 56.8 mt -102.82 92.48 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.574 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.18 111.66 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.585 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.885 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 16.5 p30 -98.81 125.29 44.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.522 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.643 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 58.8 m-85 -103.6 63.02 0.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.643 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.0 m -170.48 -172.86 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.571 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.406 ' N ' ' OE1' ' A' ' 53' ' ' GLU . 48.1 mp0 -95.88 79.63 3.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.576 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.0 p90 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.508 179.677 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.733 0.301 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.489 ' NZ ' ' SG ' ' A' ' 4' ' ' CYS . 16.7 pttp -66.33 -44.57 82.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.573 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.489 ' SG ' ' NZ ' ' A' ' 3' ' ' LYS . 22.4 m -99.06 -21.28 16.28 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -77.33 129.86 36.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -125.52 112.11 15.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.628 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 64.8 t -74.39 133.69 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.482 -176.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.627 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.6 m-85 -83.53 133.99 34.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.551 177.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -115.97 135.03 54.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.533 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.5 OUTLIER 67.91 59.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.605 179.143 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -131.86 151.88 79.31 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.509 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -65.53 124.12 12.39 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.749 2.299 . . . . 0.0 112.182 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.436 ' CG2' ' N ' ' A' ' 14' ' ' SER . 15.1 m -77.19 -43.51 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.515 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.436 ' N ' ' CG2' ' A' ' 13' ' ' VAL . 14.1 t -50.4 -38.95 45.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.601 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -72.43 -31.5 65.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.494 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.496 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -65.55 -7.57 15.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.621 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.436 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.7 pt20 -64.94 -8.36 15.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.503 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.562 ' C ' ' H ' ' A' ' 20' ' ' ASN . 7.2 mt -120.66 97.54 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.564 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.49 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.82 -11.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.629 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.603 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.4 m-20 -85.06 -40.47 16.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.626 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 18' ' ' LEU . 79.9 mm-40 -73.4 -44.26 58.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.636 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.601 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 20.4 t -56.42 -59.07 5.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.658 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.603 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.8 p-10 -58.3 -44.14 88.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.664 -178.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -60.48 -54.19 48.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.645 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -56.27 -41.78 76.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.783 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.627 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -53.68 -50.08 66.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.603 -179.791 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.668 ' O ' ' N ' ' A' ' 31' ' ' HIS . 46.3 mtpt -66.72 -50.34 63.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.656 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.5 mt -55.19 -28.47 53.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.645 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -94.69 -52.08 4.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.601 -178.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.5 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 60.6 mmtt -107.3 -16.84 14.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.566 -176.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.668 ' N ' ' O ' ' A' ' 27' ' ' LYS . 40.7 m-70 65.61 54.0 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.596 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.568 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -93.92 -162.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.516 178.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.564 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 18.8 mmt-85 -82.65 -55.12 4.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.577 178.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.443 ' OG ' ' OD2' ' A' ' 50' ' ' ASP . 19.1 p -129.3 -78.33 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.574 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.601 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.38 56.69 2.1 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 178.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -74.73 174.36 9.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.319 . . . . 0.0 110.594 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 71.5 m -81.39 151.77 27.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.471 -178.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' GLN . 76.0 m-85 -147.02 152.44 38.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.5 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.513 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 14.9 m-85 -95.54 109.76 21.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.562 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 40' ' ' ASP . 51.6 p30 -77.19 -159.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.541 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mp0 -67.95 -40.09 83.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.583 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -75.89 6.79 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.52 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.4 mmm-85 58.68 39.96 23.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.562 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.637 ' ND2' HE21 ' A' ' 46' ' ' GLN . 0.0 OUTLIER -110.7 139.19 46.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.517 ' N ' ' OD1' ' A' ' 44' ' ' ASN . 5.2 mt -67.32 113.03 4.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.593 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.637 HE21 ' ND2' ' A' ' 44' ' ' ASN . 90.8 mt-30 -124.57 142.38 51.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.578 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.5 m -83.95 121.26 27.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.597 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.415 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 48.0 mt -102.38 91.81 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.563 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.93 106.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.551 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.92 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 20.6 p30 -95.09 113.61 25.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.639 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.603 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 61.2 m-85 -91.82 60.37 3.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.582 178.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.603 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.9 m -168.58 -174.32 2.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.572 -178.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -97.99 80.48 2.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.529 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.514 ' CD1' ' OD2' ' A' ' 50' ' ' ASP . 46.0 p90 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.53 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.596 ' N ' ' NZ ' ' A' ' 5' ' ' LYS . 86.5 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.822 0.344 . . . . 0.0 110.564 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -59.72 -30.29 68.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.584 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.634 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 23.6 m -68.5 40.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 117.536 -1.221 . . . . 0.0 111.856 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.596 ' NZ ' ' N ' ' A' ' 2' ' ' ASP . 43.4 mttp -136.61 138.02 40.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 119.449 1.022 . . . . 0.0 110.553 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -136.49 117.59 14.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.584 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.432 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 43.9 t -75.65 137.56 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.549 -177.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.633 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.7 m-85 -86.48 122.69 30.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.621 177.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.432 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 52.7 mp0 -103.67 135.29 45.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.557 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.488 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.26 57.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.595 179.222 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -130.63 131.12 23.11 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.56 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.436 ' CB ' ' HZ1' ' A' ' 15' ' ' LYS . 75.4 Cg_exo -45.77 123.74 6.28 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.817 2.345 . . . . 0.0 112.204 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.2 m -76.19 -43.1 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.538 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.412 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 86.8 p -51.04 -37.53 45.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.516 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.436 ' HZ1' ' CB ' ' A' ' 12' ' ' PRO . 56.8 mttp -70.78 -33.03 70.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.613 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.535 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 0.3 OUTLIER -66.16 -7.65 19.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.564 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.412 ' CG ' ' O ' ' A' ' 14' ' ' SER . 14.0 pt20 -65.63 -7.36 14.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.575 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.547 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.3 mt -121.84 98.92 6.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.585 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.501 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.94 -12.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.631 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.6 m-20 -84.75 -42.83 14.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.534 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -72.45 -43.65 63.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.582 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.57 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 39.2 t -54.98 -59.64 4.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.715 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.631 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.6 p-10 -59.27 -46.71 87.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.685 -178.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' A' ' 20' ' ' ASN . 4.3 m-85 -58.67 -56.51 21.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.606 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -53.02 -40.75 64.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.747 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.633 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -56.53 -49.82 73.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.667 179.728 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.677 ' O ' ' N ' ' A' ' 31' ' ' HIS . 48.0 mtmt -63.61 -52.33 61.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.624 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.3 mt -55.35 -28.97 57.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.68 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -91.15 -53.27 4.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.627 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.505 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 34.0 mmtm -110.12 -15.69 13.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 -175.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.677 ' N ' ' O ' ' A' ' 27' ' ' LYS . 41.9 m-70 66.06 55.77 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.547 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -94.49 -168.18 1.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.472 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.587 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 12.0 mmt-85 -79.01 -52.87 7.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.609 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.444 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 33.6 m -129.0 -78.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.618 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.563 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.22 55.05 2.43 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -76.01 172.98 11.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.605 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 62.6 m -81.21 149.9 28.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 46' ' ' GLN . 84.0 m-85 -145.54 151.1 37.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.606 178.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.407 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 10.7 m-85 -87.73 110.05 20.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.55 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.436 ' OD2' ' OE1' ' A' ' 46' ' ' GLN . 74.0 m-20 -80.94 -158.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.629 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.416 ' H ' ' HB3' ' A' ' 40' ' ' ASP . 78.5 mm-40 -69.03 -42.4 76.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.52 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -75.55 4.04 8.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.54 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.3 mmm-85 59.25 39.24 22.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.486 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.696 HD22 ' NE2' ' A' ' 46' ' ' GLN . 15.8 p-10 -112.54 120.17 40.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.584 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.407 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 7.3 mt -45.65 110.74 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.636 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.696 ' NE2' HD22 ' A' ' 44' ' ' ASN . 1.9 mt-30 -121.78 140.79 51.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.55 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 84.4 m -82.46 122.45 28.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.622 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.8 mt -105.12 93.32 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.597 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.33 115.61 4.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.526 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.823 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 12.6 p30 -103.62 133.07 49.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.55 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.635 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 66.1 m-85 -110.48 63.63 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.616 178.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.635 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.1 m -169.18 -171.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.643 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -98.49 80.07 2.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.575 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.7 p90 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.554 179.675 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.782 0.325 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -61.67 -33.54 74.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.535 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.577 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 31.6 m -80.48 39.8 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 117.077 -1.439 . . . . 0.0 112.255 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -130.41 130.71 44.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 119.894 1.224 . . . . 0.0 110.584 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -126.15 111.97 15.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.592 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.0 p -76.44 133.45 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.475 -177.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.625 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 3.0 m-85 -82.97 135.85 34.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.627 178.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.527 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 45.0 mp0 -114.4 132.21 56.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.61 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.485 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.7 OUTLIER 65.74 65.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 179.209 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -134.65 134.43 22.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.519 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -45.94 123.64 6.39 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.81 2.34 . . . . 0.0 112.179 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.2 m -77.13 -43.35 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.552 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.414 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 85.0 p -50.69 -36.86 38.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.55 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -69.75 -32.19 70.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.536 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -7.57 17.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.564 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.414 ' CG ' ' O ' ' A' ' 14' ' ' SER . 11.8 pt20 -64.55 -6.13 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.568 ' C ' ' H ' ' A' ' 20' ' ' ASN . 7.7 mt -126.88 98.09 5.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.506 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.485 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.39 -11.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.59 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 97.5 m-20 -84.69 -39.51 18.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' LEU . 78.8 mm-40 -73.59 -45.7 51.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.648 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.594 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 21.5 t -55.02 -58.97 5.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.643 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.59 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 11.0 p-10 -58.95 -44.7 91.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.615 -178.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -59.31 -56.87 16.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.704 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -54.3 -41.64 69.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.709 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.625 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -54.0 -50.37 66.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.557 -179.758 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.682 ' O ' ' N ' ' A' ' 31' ' ' HIS . 15.0 mtpp -65.47 -51.38 60.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.716 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.4 mt -54.62 -28.64 48.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.653 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.422 ' HB2' ' HH ' ' A' ' 8' ' ' TYR . 87.8 m-20 -93.6 -51.56 4.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.577 -177.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.494 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 57.2 mmtt -106.84 -19.76 13.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.659 -176.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.682 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.0 m80 70.79 48.52 0.41 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.603 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.562 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -88.47 -163.13 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.494 178.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.54 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 18.0 mmt180 -86.07 -53.26 5.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.574 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 39.3 m -128.1 -78.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.583 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.594 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 86.75 56.08 2.3 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -74.44 173.55 10.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.737 0.303 . . . . 0.0 110.646 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.539 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 65.4 m -81.67 151.62 27.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.586 -178.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 46' ' ' GLN . 57.5 m-85 -143.0 148.57 36.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.67 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.491 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 16.6 m-85 -93.82 109.36 21.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.497 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -82.01 -161.34 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.549 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -68.58 -40.31 80.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.599 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -74.69 2.95 8.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.565 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.1 mmm-85 59.76 35.13 22.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.68 ' ND2' HE21 ' A' ' 46' ' ' GLN . 14.5 p-10 -107.96 120.69 43.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.55 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.491 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 6.0 mt -51.52 113.47 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.68 HE21 ' ND2' ' A' ' 44' ' ' ASN . 34.4 mm-40 -121.94 140.65 52.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.504 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 76.1 m -84.3 122.38 28.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.62 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.424 ' CD1' ' CG ' ' A' ' 38' ' ' PHE . 46.9 mt -103.96 91.75 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.6 106.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.561 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.916 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 19.0 p30 -92.65 121.36 34.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.547 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.64 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 46.7 m-85 -100.11 62.92 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.639 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.64 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 6.2 m -170.91 -172.86 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -94.58 80.36 3.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.576 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.597 179.739 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 51.1 p30 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.737 0.303 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.419 ' C ' ' H ' ' A' ' 5' ' ' LYS . 55.1 pttt -65.3 -27.45 68.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.557 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.659 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 18.6 m -68.08 37.17 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 117.325 -1.322 . . . . 0.0 112.168 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.419 ' H ' ' C ' ' A' ' 3' ' ' LYS . 30.6 mmtp -132.19 136.02 46.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 119.641 1.109 . . . . 0.0 110.604 -178.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -135.94 116.08 13.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.602 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.5 p -76.39 137.78 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.542 -177.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.625 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.4 m-85 -84.8 135.51 34.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.569 178.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.524 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 36.0 mp0 -118.17 136.29 53.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.516 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 68.38 58.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 179.244 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -131.35 152.57 80.76 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.78 123.72 12.81 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.845 2.363 . . . . 0.0 112.166 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.1 m -77.62 -44.76 29.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.573 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.446 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 22.6 m -51.0 -38.06 48.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.566 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -71.75 -30.33 65.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.591 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -60.17 -16.04 29.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.598 179.808 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.446 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.5 pt20 -63.81 -0.69 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.516 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.574 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.5 mt -127.01 89.81 3.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.527 179.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.448 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -43.73 -14.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.618 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.597 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 98.6 m-20 -85.26 -36.22 21.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.651 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 18' ' ' LEU . 85.9 mm-40 -75.62 -49.28 18.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.59 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 2.7 t -56.46 -57.68 11.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.726 -178.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.597 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 21.6 p-10 -56.11 -43.27 77.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.718 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -59.78 -47.27 86.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.678 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -63.8 -41.91 97.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.7 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.625 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -53.69 -50.58 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.638 -179.689 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.622 ' O ' ' N ' ' A' ' 31' ' ' HIS . 43.0 mtpt -65.47 -51.65 58.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.665 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.3 mt -56.09 -28.5 57.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.656 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -92.48 -54.39 3.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.604 -177.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.503 ' C ' ' CG ' ' A' ' 31' ' ' HIS . 53.2 mmtt -104.63 -20.22 13.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.574 -176.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.622 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.1 m80 73.14 48.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.642 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.549 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -87.72 -165.53 1.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.516 178.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.614 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 20.0 mmt-85 -83.95 -53.43 5.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.561 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.42 ' OG ' ' OH ' ' A' ' 54' ' ' TYR . 19.3 m -127.88 -75.97 0.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.66 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.736 ' O ' ' SG ' ' A' ' 47' ' ' CYS . . . 86.51 61.15 1.65 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -79.61 168.12 19.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.719 0.295 . . . . 0.0 110.629 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.578 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 73.5 m -81.02 147.76 30.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.499 -178.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.516 ' N ' ' O ' ' A' ' 46' ' ' GLN . 65.0 m-85 -139.68 148.18 42.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.667 178.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.45 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 15.8 m-85 -92.14 109.75 21.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.518 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.428 ' OD2' ' OE1' ' A' ' 46' ' ' GLN . 88.0 m-20 -85.87 -161.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.583 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -72.33 -39.62 68.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.596 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -71.07 2.34 4.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.615 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.8 mmm-85 58.86 29.7 19.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.677 HD22 ' NE2' ' A' ' 46' ' ' GLN . 17.5 p-10 -109.2 114.97 29.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.45 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 5.8 mt -46.02 116.83 1.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.677 ' NE2' HD22 ' A' ' 44' ' ' ASN . 3.2 mt-30 -122.01 142.12 50.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.736 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -86.72 124.76 33.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.553 179.561 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.43 ' CD1' ' CG ' ' A' ' 38' ' ' PHE . 63.0 mt -102.35 91.01 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.495 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.79 114.22 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.567 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.836 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 11.0 p30 -102.63 133.05 48.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.639 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 61.4 m-85 -110.82 63.07 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.581 178.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.639 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 10.0 m -169.07 -171.66 1.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.545 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -100.74 80.04 2.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.577 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.422 ' CD2' ' OD2' ' A' ' 50' ' ' ASP . 33.3 p90 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.525 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.738 0.304 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -61.89 -30.33 70.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.507 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.635 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 24.4 m -75.79 40.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 117.266 -1.35 . . . . 0.0 111.845 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -130.78 132.41 45.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 119.715 1.143 . . . . 0.0 110.561 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -128.45 112.48 14.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.622 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.431 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 41.3 t -75.11 135.97 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.523 -177.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.618 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.8 m-85 -87.63 126.33 34.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 178.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 7' ' ' VAL . 50.8 mp0 -107.73 134.34 50.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.645 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.469 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.53 59.47 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.592 179.01 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -131.76 132.63 23.43 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.505 178.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -45.94 124.23 7.01 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.816 2.344 . . . . 0.0 112.192 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.426 ' CG2' ' N ' ' A' ' 14' ' ' SER . 17.4 m -76.89 -43.24 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.45 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 28.1 m -50.22 -37.46 35.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -69.18 -31.32 69.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.505 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -7.35 21.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.45 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.4 pt20 -64.37 -7.07 8.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.535 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.573 ' C ' ' H ' ' A' ' 20' ' ' ASN . 7.8 mt -126.45 98.32 5.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.494 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.94 -10.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.605 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 97.7 m-20 -84.7 -40.19 17.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 18' ' ' LEU . 76.7 mm-40 -73.56 -45.62 52.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.639 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.588 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 19.0 t -54.84 -59.36 4.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.597 -179.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.605 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.6 p-10 -57.86 -46.54 84.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.686 -178.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -58.91 -57.66 12.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.67 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -52.51 -40.08 62.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.706 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.618 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -55.21 -49.45 71.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.662 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.682 ' O ' ' N ' ' A' ' 31' ' ' HIS . 36.9 mtmt -65.32 -50.89 63.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.706 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.1 mt -54.82 -28.33 48.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.658 -178.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.419 ' HB2' ' HH ' ' A' ' 8' ' ' TYR . 84.8 m-20 -94.09 -52.13 4.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.583 -177.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.498 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 35.3 mmtm -109.03 -15.32 14.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.583 -175.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.682 ' N ' ' O ' ' A' ' 27' ' ' LYS . 39.9 m-70 65.04 53.67 1.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.638 179.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.565 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -93.53 -169.22 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.542 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.578 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 17.4 mmt85 -77.32 -53.45 7.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.567 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.604 ' HG ' ' H ' ' A' ' 35' ' ' GLY . 5.8 p -130.12 -77.8 0.54 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.588 178.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.604 ' H ' ' HG ' ' A' ' 34' ' ' SER . . . 87.4 54.81 2.46 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -73.4 173.79 9.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.773 0.321 . . . . 0.0 110.676 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.562 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 63.1 m -82.72 151.42 26.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.561 -178.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' GLN . 56.5 m-85 -142.33 144.78 33.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.646 177.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.439 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 17.7 m-85 -90.96 109.64 20.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.581 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.529 ' OD2' ' NE2' ' A' ' 46' ' ' GLN . 81.8 m-20 -88.22 -158.65 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.582 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -72.38 -39.63 67.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.546 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -71.75 3.92 3.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.553 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.7 mtm180 57.32 18.25 4.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.605 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 44' ' ' ASN . 17.9 p-10 -97.78 114.87 27.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.581 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.439 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 5.9 mt -46.31 118.72 2.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.569 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.529 ' NE2' ' OD2' ' A' ' 40' ' ' ASP . 12.6 mt-30 -121.77 139.65 53.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.492 179.489 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 78.4 m -84.66 123.05 29.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.607 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.409 ' CD1' ' CG ' ' A' ' 38' ' ' PHE . 42.9 mt -103.94 91.54 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.558 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.29 107.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.556 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.857 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 17.1 p30 -96.62 127.55 42.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.522 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.641 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 62.4 m-85 -104.73 62.82 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.667 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.641 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 8.5 m -169.46 -173.2 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.563 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -98.39 79.81 2.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.647 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.0 p90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.563 179.69 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.815 0.34 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -70.81 -36.81 73.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.699 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 16.1 m -90.21 40.4 1.01 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 117.073 -1.442 . . . . 0.0 111.429 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -133.59 134.68 43.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 119.922 1.237 . . . . 0.0 110.599 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -134.07 114.07 12.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.55 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.9 t -74.28 137.15 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.514 -177.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.623 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.7 m-85 -87.52 125.14 34.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.62 177.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -106.03 135.87 46.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.59 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.472 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 66.1 58.16 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.573 179.21 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -130.41 131.44 23.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.52 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -46.02 123.97 6.84 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.83 2.353 . . . . 0.0 112.192 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.9 m -76.73 -42.8 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.553 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.457 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 24.6 m -50.05 -37.97 35.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.544 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -70.77 -31.8 68.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.509 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -7.07 17.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.635 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.457 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.4 pt20 -64.8 -7.87 12.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.554 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.558 ' C ' ' H ' ' A' ' 20' ' ' ASN . 7.5 mt -123.47 98.74 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.517 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.494 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -46.01 -11.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.617 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.608 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 100.0 m-20 -84.93 -41.22 16.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -72.85 -44.3 61.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.628 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.578 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 28.1 t -55.63 -59.38 4.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.643 -179.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.608 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.5 p-10 -58.88 -45.82 89.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.66 -178.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -58.54 -57.58 12.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.696 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -53.5 -41.21 66.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.712 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.623 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -54.55 -50.58 67.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.725 -179.808 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.69 ' O ' ' N ' ' A' ' 31' ' ' HIS . 45.5 mtpt -64.66 -51.96 59.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.637 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.5 mt -54.72 -28.24 46.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.642 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -91.99 -52.77 4.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.552 -178.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.499 ' C ' ' CG ' ' A' ' 31' ' ' HIS . 55.6 mmtt -107.67 -19.44 13.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.605 -176.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.69 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.0 m80 72.51 47.59 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.619 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.569 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -87.19 -164.45 1.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.527 178.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.535 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 11.7 mmt-85 -85.88 -52.78 5.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.563 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.45 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 36.2 m -127.7 -78.52 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.67 178.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.578 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 86.25 55.77 2.42 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 178.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -73.93 173.64 9.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 0.0 110.673 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.571 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 68.7 m -81.57 152.01 27.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.509 -178.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' GLN . 64.6 m-85 -144.32 150.03 37.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.6 177.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.478 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 16.7 m-85 -95.47 108.71 20.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.509 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -80.19 -157.68 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.573 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -69.13 -39.67 78.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.565 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -76.55 7.89 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.569 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 59.03 17.9 5.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.606 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.64 ' ND2' ' NE2' ' A' ' 46' ' ' GLN . 12.4 p-10 -88.33 133.76 33.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.652 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.478 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 6.1 mt -66.13 116.6 7.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.587 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.64 ' NE2' ' ND2' ' A' ' 44' ' ' ASN . 97.1 mm-40 -126.33 142.97 51.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.568 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.8 m -85.44 124.21 31.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.594 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.4 ' CD1' ' CG ' ' A' ' 38' ' ' PHE . 51.5 mt -103.67 91.49 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.556 179.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.44 110.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.597 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.881 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 17.5 p30 -98.14 125.01 42.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.699 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 54.2 m-85 -103.23 61.04 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.636 178.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -156.92 -175.65 5.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.636 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.8 mp0 -88.28 81.9 7.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.546 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.438 ' CE2' ' OG ' ' A' ' 34' ' ' SER . 43.1 p90 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.542 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.825 0.345 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -60.57 -33.81 73.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.552 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.614 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 27.6 m -75.55 40.7 0.18 Allowed 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 117.247 -1.359 . . . . 0.0 112.11 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -130.08 130.29 44.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 119.776 1.171 . . . . 0.0 110.55 -178.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -126.27 112.42 15.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.64 177.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.433 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 45.4 t -75.69 136.45 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.491 -177.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.611 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.9 m-85 -87.81 125.48 34.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.619 178.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 7' ' ' VAL . 50.9 mp0 -106.83 135.1 48.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.607 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.472 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.7 OUTLIER 66.35 59.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.559 179.225 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -131.58 132.65 23.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.571 178.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -45.97 123.88 6.68 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.858 2.372 . . . . 0.0 112.116 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.406 ' CG2' ' N ' ' A' ' 14' ' ' SER . 22.7 m -76.39 -43.52 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.606 179.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.446 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 22.9 t -49.74 -37.73 30.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.58 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -68.71 -31.16 70.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.53 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -7.22 22.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.446 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.2 pt20 -64.82 -7.1 9.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.524 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.559 ' C ' ' H ' ' A' ' 20' ' ' ASN . 7.5 mt -127.15 98.96 5.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.522 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.483 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.71 -11.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.606 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.607 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.8 m-20 -83.75 -40.08 19.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.582 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 18' ' ' LEU . 80.6 mm-40 -74.03 -45.12 51.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.557 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.583 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 34.7 t -54.33 -58.95 5.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.692 -179.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.607 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 11.0 p-10 -59.42 -47.42 85.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.681 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' A' ' 20' ' ' ASN . 4.8 m-85 -56.71 -58.67 7.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.665 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -52.49 -40.4 62.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.731 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.611 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.92 -49.3 71.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.654 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.711 ' O ' ' N ' ' A' ' 31' ' ' HIS . 27.9 mttp -63.74 -54.04 41.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.713 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.1 mt -54.66 -28.83 50.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.719 -177.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -90.41 -49.26 6.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.61 -177.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.495 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 63.7 mmtt -114.11 -20.4 10.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.644 -175.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.711 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.2 m80 71.55 57.45 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.624 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.62 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -97.21 -167.81 1.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.503 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.532 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 12.2 mmm180 -83.35 -51.45 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.614 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.462 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 28.4 m -126.66 -78.39 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.586 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.583 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 86.82 53.84 2.77 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -75.06 171.54 13.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 110.673 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 68.0 m -81.95 151.61 27.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.538 -178.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.479 ' CG ' ' CD1' ' A' ' 48' ' ' ILE . 48.1 m-85 -141.19 147.53 38.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.549 177.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.47 ' CE2' ' CD2' ' A' ' 45' ' ' LEU . 18.2 m-85 -96.06 108.78 21.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.52 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -85.53 -160.02 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -69.16 -39.48 78.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.62 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -71.98 4.38 3.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.631 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 58.67 18.23 5.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.575 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.719 HD22 HE21 ' A' ' 46' ' ' GLN . 12.0 p-10 -94.18 130.35 40.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.59 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.47 ' CD2' ' CE2' ' A' ' 39' ' ' TYR . 4.7 mt -61.99 117.88 6.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.613 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.719 HE21 HD22 ' A' ' 44' ' ' ASN . 71.4 mt-30 -122.03 138.3 54.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.634 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 69.5 m -83.43 122.43 28.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.479 ' CD1' ' CG ' ' A' ' 38' ' ' PHE . 41.2 mt -103.24 92.41 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.0 104.23 0.35 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.569 179.218 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.899 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 21.0 p30 -90.56 119.89 31.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.484 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.625 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 43.9 m-85 -97.67 63.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.625 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 6.0 m -170.13 -174.82 1.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.632 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mp0 -82.21 80.02 8.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.603 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.559 179.392 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.84 0.352 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -72.16 -15.66 61.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.627 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.62 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 32.5 m -74.96 42.95 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 117.032 -1.461 . . . . 0.0 112.054 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.488 ' NZ ' ' CB ' ' A' ' 5' ' ' LYS . 4.9 mtpm? -137.73 137.38 38.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 119.914 1.234 . . . . 0.0 110.589 -178.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.416 ' NZ ' ' CB ' ' A' ' 6' ' ' LYS . 6.9 mtpm? -133.72 116.92 16.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.593 178.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.3 t -74.48 137.22 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.545 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.629 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.8 m-85 -87.17 124.11 32.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.566 177.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -105.98 135.27 47.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.481 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.32 57.7 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.593 179.135 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -130.87 135.69 27.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.522 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -45.71 124.29 6.76 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.784 2.323 . . . . 0.0 112.192 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 t -76.8 -46.5 30.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.562 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.437 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 22.8 t -49.72 -37.03 27.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.578 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -66.22 -31.13 71.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.569 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -10.88 34.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.585 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.437 ' OE1' ' O ' ' A' ' 14' ' ' SER . 9.1 pt20 -64.55 -3.34 3.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.548 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.563 ' C ' ' H ' ' A' ' 20' ' ' ASN . 7.8 mt -129.67 96.28 4.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.487 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.501 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.77 -11.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.561 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.617 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.6 m-20 -84.24 -41.44 16.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.561 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -72.91 -44.1 61.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.56 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.566 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 35.3 t -54.91 -59.26 4.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.702 -179.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.617 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 12.4 p-10 -59.75 -44.12 93.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.638 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -59.75 -57.41 13.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.669 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -53.57 -42.18 67.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.678 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.629 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -53.49 -49.76 66.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.753 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.687 ' O ' ' N ' ' A' ' 31' ' ' HIS . 46.7 mtpt -66.12 -50.29 64.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.687 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.9 mt -54.89 -28.02 47.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.613 -178.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -94.62 -52.0 4.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.622 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.512 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 55.1 mmtt -107.62 -17.02 14.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.618 -176.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.687 ' N ' ' O ' ' A' ' 27' ' ' LYS . 42.0 m-70 66.28 50.59 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.593 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.54 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -88.61 -163.7 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.524 178.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.579 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 30.6 mmt-85 -83.86 -53.15 5.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.62 178.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 36.9 m -128.84 -78.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.559 178.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.566 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.1 55.78 2.31 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -75.96 173.9 10.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 110.667 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.528 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 85.3 m -81.74 149.92 28.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.557 -178.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 46' ' ' GLN . 88.1 m-85 -146.25 146.38 30.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.561 177.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.505 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 13.2 m-85 -89.78 111.33 22.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.584 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -90.82 -160.23 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.624 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -82.73 11.04 6.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.59 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -111.51 3.75 18.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 56.05 17.15 2.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.564 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.602 ' OD1' ' C ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -114.0 120.7 41.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.643 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.505 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 9.4 mt -47.66 122.75 5.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.537 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' A' ' 44' ' ' ASN . 17.5 mt-30 -125.17 141.17 52.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.53 179.121 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.0 m -85.33 123.8 31.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.644 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.7 mt -106.51 93.59 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.678 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.67 111.72 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.558 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.893 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 17.2 p30 -97.73 124.91 42.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.612 179.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.648 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 48.2 m-85 -103.38 62.62 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.63 179.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.648 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.9 m -169.93 -173.6 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.638 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -95.45 79.75 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.513 179.645 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.826 0.346 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -59.82 -43.2 94.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.593 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.568 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 37.2 m -128.16 39.44 3.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 117.009 -1.472 . . . . 0.0 111.867 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -132.15 138.71 48.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 119.908 1.231 . . . . 0.0 110.599 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -135.52 115.93 13.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.574 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.43 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 22.9 t -75.93 138.16 21.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.51 -177.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.627 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.8 m-85 -87.19 126.29 34.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.584 177.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.434 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 52.6 mp0 -103.7 131.68 50.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.595 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 61.84 73.57 0.47 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.589 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -139.12 144.14 39.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.494 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -46.16 123.4 6.39 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.877 2.385 . . . . 0.0 112.248 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 14' ' ' SER . 7.4 p -78.94 -48.88 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.51 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.459 ' HG ' ' N ' ' A' ' 15' ' ' LYS . 90.1 p -50.32 -35.29 26.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.516 -178.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.459 ' N ' ' HG ' ' A' ' 14' ' ' SER . 26.6 mmtm -67.76 -30.76 70.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.447 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' C ' ' H ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -65.13 -15.01 61.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.572 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.411 ' CG ' ' O ' ' A' ' 14' ' ' SER . 11.9 pt20 -64.75 -1.89 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.533 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.591 ' C ' ' H ' ' A' ' 20' ' ' ASN . 7.9 mt -131.95 96.54 3.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.538 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.447 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.04 -12.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.627 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.614 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 98.6 m-20 -82.06 -39.88 22.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.604 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' LEU . 92.1 mm-40 -74.54 -46.6 37.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.624 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.592 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 43.3 t -52.54 -59.44 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.64 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.614 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 14.5 p-10 -59.67 -46.74 88.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.747 -178.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.407 ' HB2' ' O ' ' A' ' 20' ' ' ASN . 4.7 m-85 -56.95 -59.06 5.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.714 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -52.61 -41.9 64.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.683 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.627 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.72 -48.85 71.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.637 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.688 ' O ' ' N ' ' A' ' 31' ' ' HIS . 30.5 mttp -64.93 -52.91 53.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.597 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.7 mt -54.67 -28.98 51.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.615 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -92.35 -50.22 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.629 -177.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.507 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 58.2 mmtt -112.23 -18.37 12.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.617 -176.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.688 ' N ' ' O ' ' A' ' 27' ' ' LYS . 42.0 m-70 66.6 60.11 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.602 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.575 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -96.98 -166.65 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.526 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.565 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 13.1 mmt85 -84.16 -49.8 8.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.619 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 38.0 m -127.16 -79.06 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.592 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.87 55.23 2.31 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -78.61 171.98 14.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.658 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.521 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 83.0 m -82.45 150.87 26.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.546 -178.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 46' ' ' GLN . 62.3 m-85 -142.32 146.82 35.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.632 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.517 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 14.8 m-85 -92.71 109.69 21.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.539 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.43 ' OD2' ' OE1' ' A' ' 46' ' ' GLN . 69.6 m-20 -85.71 -150.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.58 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.598 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 1.9 pm0 -80.13 -40.94 26.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.594 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -70.93 3.14 3.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.605 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 mmm-85 57.04 32.24 21.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.555 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.668 HD22 ' NE2' ' A' ' 46' ' ' GLN . 17.2 p-10 -110.21 116.79 32.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.58 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.517 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 10.3 mt -46.14 114.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.518 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.668 ' NE2' HD22 ' A' ' 44' ' ' ASN . 3.1 mt-30 -119.16 139.01 52.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 65.3 m -83.57 123.57 29.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.685 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.9 mt -105.97 94.38 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.56 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.7 111.33 2.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.583 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.863 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 17.5 p30 -98.45 127.63 44.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.509 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.65 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 58.8 m-85 -105.62 62.99 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.559 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.65 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.4 m -170.45 -172.63 1.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.552 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -93.22 79.88 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.615 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.542 179.692 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.783 0.325 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -58.63 -34.34 71.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.554 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.564 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 35.2 m -80.95 39.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 117.103 -1.427 . . . . 0.0 112.446 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -129.59 131.22 46.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 119.824 1.193 . . . . 0.0 110.568 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -126.17 112.07 15.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.609 177.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.0 t -75.65 135.9 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.481 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.627 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 3.0 m-85 -86.38 135.47 33.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.598 177.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -119.02 135.46 54.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.6 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.523 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.72 60.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.604 179.432 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -132.04 153.23 81.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.51 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.88 123.87 13.43 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.774 2.316 . . . . 0.0 112.26 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.517 ' CG1' ' N ' ' A' ' 14' ' ' SER . 9.9 p -76.49 -46.19 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.533 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.517 ' N ' ' CG1' ' A' ' 13' ' ' VAL . 24.6 m -51.44 -35.69 40.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.534 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.0 mmtm -66.22 -32.73 74.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.515 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -10.58 28.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.539 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' A' ' 14' ' ' SER . 9.6 pt20 -64.01 -4.46 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.577 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.593 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.9 mt -130.99 96.59 4.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.62 179.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.47 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.26 -12.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.588 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.6 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 95.2 m-20 -83.05 -38.86 21.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 18' ' ' LEU . 91.2 mm-40 -74.31 -46.84 38.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.594 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.583 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 34.2 t -53.68 -58.68 6.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.709 -179.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.6 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 12.4 p-10 -59.53 -44.66 93.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.624 -178.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -59.56 -56.47 21.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.688 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.74 -42.55 68.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.718 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.627 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.14 -50.41 67.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.655 -179.816 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.676 ' O ' ' N ' ' A' ' 31' ' ' HIS . 25.1 mtmt -66.21 -49.59 66.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.697 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.8 mt -54.93 -29.11 55.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.616 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -96.4 -50.1 4.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.586 -177.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.505 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 56.6 mmtt -107.05 -16.82 14.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.584 -176.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.676 ' N ' ' O ' ' A' ' 27' ' ' LYS . 37.1 m-70 63.83 49.82 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.613 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.518 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -88.68 -163.47 0.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.546 178.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.569 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 18.1 mmm180 -82.64 -54.22 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.553 179.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.465 ' HG ' ' HH ' ' A' ' 54' ' ' TYR . 33.4 m -128.78 -78.3 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.603 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.583 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 88.03 56.43 2.07 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 178.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -76.47 174.3 10.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.575 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.509 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 71.1 m -82.76 150.34 26.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.543 -178.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' GLN . 83.4 m-85 -145.43 141.45 28.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.601 177.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.498 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 14.0 m-85 -85.46 120.08 26.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 -178.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.452 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 54.3 p-10 -97.46 -151.26 0.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.611 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.43 ' OE1' ' N ' ' A' ' 41' ' ' GLU . 52.6 mp0 -79.4 -39.74 31.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -70.15 3.39 2.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.599 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.422 ' H ' ' C ' ' A' ' 41' ' ' GLU . 3.4 mmm180 56.31 30.12 16.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.528 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.761 HD22 HE21 ' A' ' 46' ' ' GLN . 12.9 p-10 -113.04 120.21 40.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 179.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.498 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 10.9 mt -46.46 117.08 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.563 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.761 HE21 HD22 ' A' ' 44' ' ' ASN . 19.2 mt-30 -118.04 140.06 50.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.594 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 66.9 m -86.16 123.1 31.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.568 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.6 mt -107.32 93.87 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.35 104.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.523 179.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.897 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 21.7 p30 -88.43 113.96 24.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.592 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.653 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 32.9 m-85 -92.97 62.31 3.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.631 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.653 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 5.1 m -172.16 -174.51 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.558 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -89.84 80.18 6.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.587 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.465 ' HH ' ' HG ' ' A' ' 34' ' ' SER . 81.8 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.575 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.617 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 34.6 m . . . . . 0 CA--C 1.516 -0.339 0 CA-C-O 117.095 -1.431 . . . . 0.0 112.18 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -130.8 137.63 49.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 119.86 1.209 . . . . 0.0 110.593 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -135.11 116.38 14.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.55 178.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.9 t -76.59 137.08 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.495 -177.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.633 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.7 m-85 -85.95 125.85 33.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.587 177.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -107.35 135.33 49.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.462 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.7 OUTLIER 66.03 59.56 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.626 179.171 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -131.33 133.59 24.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.551 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -46.37 124.0 7.34 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.846 2.364 . . . . 0.0 112.176 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.523 HG23 ' N ' ' A' ' 14' ' ' SER . 28.1 m -76.56 -42.24 34.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.531 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.523 ' N ' HG23 ' A' ' 13' ' ' VAL . 33.4 t -50.58 -38.28 44.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.548 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -68.39 -31.0 70.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.536 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -7.05 27.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.449 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.1 pt20 -64.35 -6.25 6.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.492 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.7 mt -128.88 99.67 5.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.591 178.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.478 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.58 -11.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.581 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.603 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.6 m-20 -84.57 -40.27 17.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.558 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 18' ' ' LEU . 80.4 mm-40 -73.21 -44.55 59.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.625 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.605 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 19.5 t -55.8 -58.89 5.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.694 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.603 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.4 p-10 -59.19 -43.73 92.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.678 -178.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -60.49 -54.8 41.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.709 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -56.25 -41.8 76.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.686 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.633 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -53.78 -49.78 67.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.625 -179.71 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.667 ' O ' ' N ' ' A' ' 31' ' ' HIS . 45.2 mtpt -66.61 -50.65 62.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.653 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.2 mt -54.84 -27.64 43.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.632 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -94.93 -52.36 4.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.596 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.509 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 35.1 mmtm -107.32 -17.22 14.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.6 -176.348 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.667 ' N ' ' O ' ' A' ' 27' ' ' LYS . 43.7 m80 66.67 54.42 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.569 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.585 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -92.97 -162.95 0.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.487 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.6 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 19.7 mmt-85 -84.45 -52.82 5.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.572 178.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 28.4 m -129.09 -78.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.591 178.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.605 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 86.34 56.03 2.36 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -75.08 173.68 10.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.327 . . . . 0.0 110.666 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.558 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 62.8 m -81.3 151.99 27.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.578 -178.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.703 ' CG ' HD12 ' A' ' 48' ' ' ILE . 57.4 m-85 -143.12 144.13 32.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.612 177.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.488 ' CE2' ' CD2' ' A' ' 45' ' ' LEU . 21.3 m-85 -92.57 109.95 21.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.553 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.427 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 49.9 p-10 -87.2 -155.14 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.631 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.5 mp0 -73.13 -38.69 66.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.605 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -72.19 3.81 4.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.609 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 58.9 17.45 5.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.58 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.427 ' OD1' ' OD2' ' A' ' 40' ' ' ASP . 8.8 p-10 -95.16 131.64 40.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.562 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.488 ' CD2' ' CE2' ' A' ' 39' ' ' TYR . 7.7 mt -60.5 117.37 5.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.56 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' A' ' 38' ' ' PHE . 27.6 mt-30 -120.96 137.04 54.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.528 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.3 m -84.49 120.8 26.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.703 HD12 ' CG ' ' A' ' 38' ' ' PHE . 50.1 mt -102.66 92.56 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.49 112.3 2.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.57 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.898 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 16.5 p30 -99.49 124.69 44.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.523 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.643 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 59.4 m-85 -103.23 62.62 0.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.579 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.643 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.2 m -170.58 -173.04 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.605 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -98.38 79.57 2.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.57 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.61 179.659 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.0 m . . . . . 0 CA--C 1.533 0.32 0 CA-C-O 120.711 0.291 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -85.25 132.92 34.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.607 -176.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -131.91 119.18 20.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.561 177.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.461 ' CG1' HE21 ' A' ' 46' ' ' GLN . 59.8 t -76.17 137.14 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.509 -177.136 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.641 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.4 m-85 -85.46 128.06 34.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.628 177.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.507 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 55.9 mp0 -107.29 132.56 52.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.615 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.483 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.7 OUTLIER 64.84 67.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.561 178.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -136.3 135.39 20.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.583 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -46.11 123.72 6.68 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.797 2.331 . . . . 0.0 112.169 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.559 HG23 ' N ' ' A' ' 14' ' ' SER . 24.8 m -77.5 -44.03 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.587 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.559 ' N ' HG23 ' A' ' 13' ' ' VAL . 24.3 t -50.34 -37.92 39.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.541 -179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -69.19 -32.02 71.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.536 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.7 OUTLIER -70.12 -5.42 26.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.581 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.456 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.7 pt20 -62.66 -8.43 6.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.531 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.8 mt -126.66 102.96 7.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.576 178.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.485 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.16 -13.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.588 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.573 ' N ' ' O ' ' A' ' 18' ' ' LEU . 96.1 m-20 -83.77 -36.91 23.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.564 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 18' ' ' LEU . 83.5 mm-40 -74.16 -47.36 36.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.573 ' SG ' ' N ' ' A' ' 37' ' ' CYS . 35.0 t -53.02 -58.78 5.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.697 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.567 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.7 p-10 -59.16 -44.84 92.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.691 -178.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -58.75 -55.53 33.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.637 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -55.07 -41.38 71.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.71 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.641 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -55.32 -50.15 70.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.649 -179.818 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.623 ' O ' ' N ' ' A' ' 31' ' ' HIS . 5.1 mtpm? -64.44 -53.52 46.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.645 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.6 mt -56.23 -27.88 56.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.666 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -90.16 -56.22 3.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.633 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.521 ' C ' ' CG ' ' A' ' 31' ' ' HIS . 52.6 mmtt -105.27 -20.23 13.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.615 -176.372 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.623 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.3 m80 74.21 51.08 0.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.573 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.55 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -91.64 -165.92 1.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.55 178.176 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.589 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 14.1 mmt180 -81.96 -54.04 5.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.618 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 58.4 m -128.67 -77.38 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.629 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.51 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 85.64 54.87 2.68 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 177.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.491 ' C ' ' SG ' ' A' ' 22' ' ' CYS . 77.7 mm-40 -71.85 163.79 27.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.349 . . . . 0.0 110.588 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.573 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -89.59 148.56 23.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.585 -178.483 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.556 ' CD1' HD12 ' A' ' 48' ' ' ILE . 49.6 m-85 -134.39 157.52 46.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.657 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.448 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 11.1 m-85 -95.33 112.01 23.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.572 -179.128 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.443 ' OD2' ' NE2' ' A' ' 46' ' ' GLN . 75.3 m-20 -92.63 -159.97 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.527 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 47.8 mp0 -71.1 -39.73 71.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.583 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -71.83 3.85 3.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.558 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 57.7 16.96 3.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.544 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 44' ' ' ASN . 17.9 p-10 -99.21 113.6 25.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.58 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.448 HD22 ' CZ ' ' A' ' 39' ' ' TYR . 3.4 mt -47.85 124.4 7.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.574 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.461 HE21 ' CG1' ' A' ' 7' ' ' VAL . 4.8 mt-30 -123.7 130.78 53.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.574 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.413 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 67.5 m -78.33 120.93 23.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.576 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.556 HD12 ' CD1' ' A' ' 38' ' ' PHE . 68.9 mt -101.63 89.68 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.531 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.34 117.77 5.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.542 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.967 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 18.4 p30 -105.91 115.79 30.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.572 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.6 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 61.0 m-85 -95.93 60.6 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.581 178.207 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.6 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.4 m -168.55 -174.87 2.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.588 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -100.09 79.27 2.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.53 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 43.9 p90 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.621 179.424 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.632 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 28.8 m . . . . . 0 CA--C 1.518 -0.283 0 CA-C-O 117.172 -1.394 . . . . 0.0 111.908 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -130.9 138.49 49.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 119.708 1.14 . . . . 0.0 110.607 -178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.448 ' HB2' ' HZ2' ' A' ' 6' ' ' LYS . 6.8 mtpm? -135.23 115.15 13.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.683 178.003 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.432 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 61.0 t -75.28 137.97 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.556 -177.401 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.602 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 3.0 m-85 -86.41 132.13 34.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.545 177.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 54.4 mp0 -114.87 133.46 55.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 179.251 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.524 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.14 64.07 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.529 179.058 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -133.91 152.96 79.57 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.508 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.84 123.61 13.31 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.813 2.342 . . . . 0.0 112.153 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.6 t -78.3 -48.83 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.589 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.454 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 20.4 m -50.03 -36.33 28.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 -178.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -70.53 -30.33 67.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.513 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.5 OUTLIER -69.34 -6.5 30.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.55 179.678 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.454 ' OE1' ' O ' ' A' ' 14' ' ' SER . 11.1 pt20 -62.5 -7.9 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.512 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.572 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.8 mt -125.49 101.72 7.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.529 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.468 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.23 -13.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.608 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.59 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 97.2 m-20 -83.04 -37.43 23.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.602 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 18' ' ' LEU . 93.1 mm-40 -74.38 -47.04 36.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.55 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.565 ' SG ' ' N ' ' A' ' 37' ' ' CYS . 36.7 t -52.76 -59.1 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.676 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.59 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 15.1 p-10 -59.27 -46.82 87.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.652 -178.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -55.5 -59.44 4.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.686 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -52.7 -39.99 62.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.648 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.602 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.73 -49.14 71.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.634 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.688 ' O ' ' N ' ' A' ' 31' ' ' HIS . 24.4 mttp -63.98 -54.53 32.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.645 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 72.0 mt -54.73 -28.43 48.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.632 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -91.74 -51.0 5.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.614 -177.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.495 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 54.9 mmtt -110.32 -21.16 12.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 -176.132 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.688 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.2 m80 72.26 52.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.62 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.535 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -93.37 -170.44 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.482 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.562 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 9.9 mmt85 -81.06 -52.46 7.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.589 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 37.5 m -125.46 -77.69 0.59 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.65 178.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.517 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 84.02 51.94 3.81 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.485 ' C ' ' SG ' ' A' ' 22' ' ' CYS . 77.9 mm-40 -72.84 163.33 28.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 110.589 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.565 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -87.14 146.4 26.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.549 -178.826 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.527 ' CD1' HD12 ' A' ' 48' ' ' ILE . 32.6 m-85 -131.22 157.54 42.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.543 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 6.8 m-85 -93.78 114.58 26.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.551 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.595 ' OD2' ' NE2' ' A' ' 46' ' ' GLN . 85.3 m-20 -94.73 -162.29 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.601 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -70.77 -40.03 72.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.654 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -70.98 2.7 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 57.94 28.59 16.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.561 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' A' ' 44' ' ' ASN . 17.7 p-10 -110.29 113.91 26.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.442 ' C ' ' SG ' ' A' ' 37' ' ' CYS . 12.3 mt -46.58 120.87 3.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.556 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.595 ' NE2' ' OD2' ' A' ' 40' ' ' ASP . 4.5 mt-30 -122.17 133.5 54.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 68.5 m -79.38 124.56 28.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.628 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.527 HD12 ' CD1' ' A' ' 38' ' ' PHE . 66.2 mt -106.16 90.47 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.32 115.99 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.5 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.843 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 12.8 p30 -103.93 131.29 51.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.619 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 61.5 m-85 -109.92 63.33 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.621 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.619 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.5 m -169.06 -172.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.593 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.7 mp0 -98.75 79.31 2.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.574 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.586 179.623 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.8 m . . . . . 0 CA--C 1.534 0.342 0 CA-C-O 121.01 0.434 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -81.99 135.31 35.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.578 -176.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.484 ' HB2' ' HZ2' ' A' ' 6' ' ' LYS . 7.0 mtpm? -133.09 115.91 15.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 177.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.422 ' CG1' HE21 ' A' ' 46' ' ' GLN . 43.4 t -73.16 136.99 24.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 -176.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.619 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.6 m-85 -85.9 132.61 34.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.551 177.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.52 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 57.2 mp0 -114.72 133.87 55.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.592 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.531 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.44 64.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.532 178.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -134.61 152.25 77.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.565 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -64.02 124.45 13.54 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.837 2.358 . . . . 0.0 112.176 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.563 HG23 ' N ' ' A' ' 14' ' ' SER . 34.2 m -77.59 -45.21 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.591 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.563 ' N ' HG23 ' A' ' 13' ' ' VAL . 15.6 m -50.5 -37.67 40.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.592 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -71.73 -31.19 66.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.525 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.5 OUTLIER -69.25 -5.61 24.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.538 179.657 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.415 ' CG ' ' O ' ' A' ' 14' ' ' SER . 15.8 pt20 -62.81 -9.17 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.506 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.563 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.8 mt -123.73 102.67 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.496 179.002 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.448 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.52 -13.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.565 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.4 m-20 -83.81 -36.12 23.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.596 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 18' ' ' LEU . 89.2 mm-40 -75.08 -48.03 25.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.621 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.564 ' SG ' ' N ' ' A' ' 37' ' ' CYS . 38.4 t -52.23 -59.1 4.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 -179.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.565 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 13.0 p-10 -59.02 -44.95 91.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.716 -178.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -57.83 -58.58 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.658 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -52.66 -40.78 63.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.683 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.619 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.32 -47.91 71.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.624 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.669 ' O ' ' N ' ' A' ' 31' ' ' HIS . 27.5 mttp -66.02 -53.07 43.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.671 -179.204 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.4 mt -55.34 -28.68 55.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.68 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -93.49 -50.82 5.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.569 -177.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.541 ' O ' ' OH ' ' A' ' 51' ' ' TYR . 54.1 mmtt -110.11 -19.46 13.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.621 -176.141 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.669 ' N ' ' O ' ' A' ' 27' ' ' LYS . 45.2 m80 66.66 59.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.567 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.531 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -99.12 -167.16 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 179.013 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.548 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 12.5 mmt-85 -81.23 -52.64 7.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.636 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 9.9 m -126.73 -78.22 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.642 178.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.529 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 85.41 51.9 3.55 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 177.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.492 ' C ' ' SG ' ' A' ' 22' ' ' CYS . 78.3 mm-40 -72.78 163.01 28.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 110.66 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.564 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -89.53 147.72 23.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.559 -178.58 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.577 ' CD1' HD12 ' A' ' 48' ' ' ILE . 36.5 m-85 -133.3 157.54 45.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.623 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.409 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 10.4 m-85 -94.87 111.49 23.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.569 -179.1 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.4 ' OD2' ' CD ' ' A' ' 46' ' ' GLN . 78.6 m-20 -93.04 -161.91 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -68.17 -36.38 79.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.568 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 44' ' ' ASN . 59.5 mttp -79.02 16.97 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.543 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 44.37 18.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.523 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 42' ' ' LYS . 16.3 p-10 -97.62 113.05 24.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.435 ' HG ' ' H ' ' A' ' 45' ' ' LEU . 4.6 mt -48.38 122.95 5.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.601 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.422 HE21 ' CG1' ' A' ' 7' ' ' VAL . 4.8 mt-30 -122.22 131.1 53.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.617 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 65.0 m -78.36 123.31 26.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.557 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.577 HD12 ' CD1' ' A' ' 38' ' ' PHE . 70.6 mt -104.32 90.45 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.594 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.91 113.2 2.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.608 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.926 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 19.6 p30 -102.73 116.03 31.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.537 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.598 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 67.6 m-85 -95.33 60.08 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 177.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.598 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 8.7 m -168.04 -175.73 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 -178.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -98.8 79.08 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.631 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.9 p90 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.628 179.566 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.612 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 33.3 m . . . . . 0 CA--C 1.517 -0.292 0 CA-C-O 117.023 -1.465 . . . . 0.0 112.14 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -131.16 135.97 47.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 119.966 1.257 . . . . 0.0 110.533 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -133.88 115.8 14.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.596 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 p -76.62 137.32 22.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.528 -177.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.64 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.7 m-85 -84.64 130.84 34.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.557 178.034 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 48.2 mp0 -108.37 131.31 54.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.549 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.466 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 1.1 m-20 64.24 69.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 178.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -136.8 135.3 19.99 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.616 178.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -45.69 123.76 6.2 Favored 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 122.873 2.382 . . . . 0.0 112.168 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.513 HG23 ' N ' ' A' ' 14' ' ' SER . 33.0 m -76.9 -42.0 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.538 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.513 ' N ' HG23 ' A' ' 13' ' ' VAL . 96.0 p -50.56 -37.4 39.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.568 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -69.15 -30.76 69.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.475 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.35 -7.03 33.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.602 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.445 ' OE1' ' O ' ' A' ' 14' ' ' SER . 9.5 pt20 -64.81 -7.11 9.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.579 ' C ' ' H ' ' A' ' 20' ' ' ASN . 7.7 mt -130.58 102.28 6.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.544 178.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.493 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -46.06 -9.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.605 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 98.6 m-20 -84.29 -40.67 17.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.623 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -73.22 -45.36 56.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.603 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.601 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 30.9 t -55.06 -59.04 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.681 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.605 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.8 p-10 -58.93 -45.15 91.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.627 -178.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -59.11 -56.76 18.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.66 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -54.12 -42.11 69.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.711 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.64 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.03 -49.68 68.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.656 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.672 ' O ' ' N ' ' A' ' 31' ' ' HIS . 6.2 mtpm? -65.65 -51.36 60.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.637 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.3 mt -55.0 -28.57 53.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.667 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -93.26 -52.6 4.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.583 -177.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.505 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 35.6 mmtm -108.08 -16.43 14.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.628 -176.193 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.672 ' N ' ' O ' ' A' ' 27' ' ' LYS . 45.4 m80 66.12 52.47 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.638 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.536 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -90.81 -163.65 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.51 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.614 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 18.9 mmt180 -83.85 -53.38 5.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.568 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 30.9 m -128.33 -78.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.645 178.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.601 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.04 56.65 2.15 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 178.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -76.09 172.95 11.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 0.0 110.582 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.556 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 62.9 m -79.88 151.91 29.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.556 -178.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.652 ' CG ' HD12 ' A' ' 48' ' ' ILE . 80.2 m-85 -147.37 143.31 27.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.586 178.06 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.56 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 20.0 m-85 -90.0 110.27 21.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.559 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.41 ' CG ' ' OD1' ' A' ' 44' ' ' ASN . 43.0 p-10 -82.46 -152.66 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.626 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.2 mp0 -73.74 -40.82 63.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.504 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -70.17 3.21 2.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.596 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.4 mmm-85 58.38 36.46 25.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.6 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.41 ' OD1' ' CG ' ' A' ' 40' ' ' ASP . 9.8 p-10 -112.48 146.42 38.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.628 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.56 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 7.0 mt -70.19 111.57 5.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 38' ' ' PHE . 22.7 mt-30 -119.36 138.06 53.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.585 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.7 m -84.31 120.77 26.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.596 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.652 HD12 ' CG ' ' A' ' 38' ' ' PHE . 56.8 mt -102.82 92.48 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.574 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.18 111.66 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.585 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.885 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 16.5 p30 -98.81 125.29 44.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.522 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.643 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 58.8 m-85 -103.6 63.02 0.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.643 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.0 m -170.48 -172.86 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.571 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.406 ' N ' ' OE1' ' A' ' 53' ' ' GLU . 48.1 mp0 -95.88 79.63 3.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.576 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.0 p90 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.508 179.677 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.4 m . . . . . 0 CA--C 1.536 0.432 0 CA-C-O 120.703 0.287 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -77.33 129.86 36.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -125.52 112.11 15.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.628 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 64.8 t -74.39 133.69 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.482 -176.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.627 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.6 m-85 -83.53 133.99 34.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.551 177.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -115.97 135.03 54.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.533 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.5 OUTLIER 67.91 59.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.605 179.143 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -131.86 151.88 79.31 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.509 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -65.53 124.12 12.39 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.749 2.299 . . . . 0.0 112.182 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.549 HG23 ' N ' ' A' ' 14' ' ' SER . 15.1 m -77.19 -43.51 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.515 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.549 ' N ' HG23 ' A' ' 13' ' ' VAL . 14.1 t -50.4 -38.95 45.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.601 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -72.43 -31.5 65.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.494 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.496 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -65.55 -7.57 15.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.621 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.436 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.7 pt20 -64.94 -8.36 15.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.503 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.2 mt -120.66 97.54 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.564 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.49 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.82 -11.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.629 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.603 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.4 m-20 -85.06 -40.47 16.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.626 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 18' ' ' LEU . 79.9 mm-40 -73.4 -44.26 58.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.636 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.601 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 20.4 t -56.42 -59.07 5.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.658 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.603 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.8 p-10 -58.3 -44.14 88.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.664 -178.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -60.48 -54.19 48.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.645 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -56.27 -41.78 76.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.783 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.627 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -53.68 -50.08 66.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.603 -179.791 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.663 ' O ' ' N ' ' A' ' 31' ' ' HIS . 46.3 mtpt -66.72 -50.34 63.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.656 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.5 mt -55.19 -28.47 53.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.645 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -94.69 -52.08 4.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.601 -178.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.5 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 60.6 mmtt -107.3 -16.84 14.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.566 -176.064 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.663 ' N ' ' O ' ' A' ' 27' ' ' LYS . 43.1 m80 65.61 54.0 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.596 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.558 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -93.92 -162.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.516 178.302 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.566 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 18.8 mmt-85 -82.65 -55.12 4.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.577 178.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.443 ' OG ' ' OD2' ' A' ' 50' ' ' ASP . 19.1 p -129.3 -78.33 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.574 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.601 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.38 56.69 2.1 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 178.51 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -74.73 174.36 9.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.319 . . . . 0.0 110.594 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.575 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 71.5 m -81.39 151.77 27.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.471 -178.624 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.674 ' CG ' HD12 ' A' ' 48' ' ' ILE . 76.0 m-85 -147.02 152.44 38.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.5 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.513 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 14.9 m-85 -95.54 109.76 21.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.562 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 40' ' ' ASP . 51.6 p30 -77.19 -159.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.541 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.437 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 45.4 mp0 -67.95 -40.09 83.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.583 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -75.89 6.79 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.52 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.4 mmm-85 58.68 39.96 23.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.562 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.588 ' OD1' ' C ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -110.7 139.19 46.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.517 ' N ' ' OD1' ' A' ' 44' ' ' ASN . 5.2 mt -67.32 113.03 4.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.593 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' PHE . 24.2 mt-30 -124.57 142.38 51.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.578 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.5 m -83.95 121.26 27.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.597 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.674 HD12 ' CG ' ' A' ' 38' ' ' PHE . 48.0 mt -102.38 91.81 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.563 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.93 106.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.551 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.92 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 20.6 p30 -95.09 113.61 25.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.639 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.603 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 61.2 m-85 -91.82 60.37 3.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.582 178.489 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.603 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.9 m -168.58 -174.32 2.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.572 -178.414 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -97.99 80.48 2.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.529 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.514 ' CD1' ' OD2' ' A' ' 50' ' ' ASP . 46.0 p90 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.53 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.634 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 23.6 m . . . . . 0 CA--C 1.518 -0.268 0 CA-C-O 117.536 -1.221 . . . . 0.0 111.856 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -136.61 138.02 40.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 119.449 1.022 . . . . 0.0 110.553 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -136.49 117.59 14.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.584 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.432 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 43.9 t -75.65 137.56 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.549 -177.39 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.633 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.7 m-85 -86.48 122.69 30.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.621 177.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.432 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 52.7 mp0 -103.67 135.29 45.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.557 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.488 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.26 57.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.595 179.222 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -130.63 131.12 23.11 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.56 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -45.77 123.74 6.28 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.817 2.345 . . . . 0.0 112.204 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.542 HG23 ' N ' ' A' ' 14' ' ' SER . 24.2 m -76.19 -43.1 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.538 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.542 ' N ' HG23 ' A' ' 13' ' ' VAL . 86.8 p -51.04 -37.53 45.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.516 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.452 ' HZ2' ' HG3' ' A' ' 15' ' ' LYS . 56.8 mttp -70.78 -33.03 70.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.613 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.535 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 0.3 OUTLIER -66.16 -7.65 19.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.564 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.412 ' CG ' ' O ' ' A' ' 14' ' ' SER . 14.0 pt20 -65.63 -7.36 14.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.575 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.547 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.3 mt -121.84 98.92 6.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.585 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.501 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.94 -12.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.631 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.6 m-20 -84.75 -42.83 14.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.534 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -72.45 -43.65 63.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.582 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.58 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 39.2 t -54.98 -59.64 4.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.715 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.631 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.6 p-10 -59.27 -46.71 87.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.685 -178.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -58.67 -56.51 21.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.606 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -53.02 -40.75 64.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.747 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.633 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -56.53 -49.82 73.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.667 179.728 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.666 ' O ' ' N ' ' A' ' 31' ' ' HIS . 48.0 mtmt -63.61 -52.33 61.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.624 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.3 mt -55.35 -28.97 57.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.68 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -91.15 -53.27 4.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.627 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.505 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 34.0 mmtm -110.12 -15.69 13.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 -175.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.666 ' N ' ' O ' ' A' ' 27' ' ' LYS . 44.4 m80 66.06 55.77 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.541 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -94.49 -168.18 1.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.472 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.585 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 12.0 mmt-85 -79.01 -52.87 7.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.609 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 33.6 m -129.0 -78.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.618 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.563 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.22 55.05 2.43 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -76.01 172.98 11.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.605 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.58 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 62.6 m -81.21 149.9 28.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.58 ' CG ' HD12 ' A' ' 48' ' ' ILE . 84.0 m-85 -145.54 151.1 37.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.606 178.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.427 ' CE1' HD23 ' A' ' 45' ' ' LEU . 10.7 m-85 -87.73 110.05 20.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.55 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.586 ' OD2' ' NE2' ' A' ' 46' ' ' GLN . 74.0 m-20 -80.94 -158.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.629 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -69.03 -42.4 76.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.52 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -75.55 4.04 8.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.54 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.3 mmm-85 59.25 39.24 22.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.486 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.434 HD21 ' CD ' ' A' ' 46' ' ' GLN . 15.8 p-10 -112.54 120.17 40.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.584 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.427 HD23 ' CE1' ' A' ' 39' ' ' TYR . 7.3 mt -45.65 110.74 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.636 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.586 ' NE2' ' OD2' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -121.78 140.79 51.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.55 -179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 84.4 m -82.46 122.45 28.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.622 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.58 HD12 ' CG ' ' A' ' 38' ' ' PHE . 47.8 mt -105.12 93.32 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.597 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.33 115.61 4.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.526 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.823 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 12.6 p30 -103.62 133.07 49.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.55 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.635 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 66.1 m-85 -110.48 63.63 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.616 178.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.635 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.1 m -169.18 -171.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.643 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -98.49 80.07 2.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.575 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.7 p90 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.554 179.675 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.579 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 31.6 m . . . . . 0 CA--C 1.518 -0.269 0 CA-C-O 117.077 -1.439 . . . . 0.0 112.255 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -130.41 130.71 44.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 119.894 1.224 . . . . 0.0 110.584 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -126.15 111.97 15.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.592 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 7' ' ' VAL . 11.0 p -76.44 133.45 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.475 -177.607 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.625 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 3.0 m-85 -82.97 135.85 34.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.627 178.049 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.527 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 45.0 mp0 -114.4 132.21 56.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.61 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.485 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.7 OUTLIER 65.74 65.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 179.209 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -134.65 134.43 22.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.519 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -45.94 123.64 6.39 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.81 2.34 . . . . 0.0 112.179 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.542 HG23 ' N ' ' A' ' 14' ' ' SER . 29.2 m -77.13 -43.35 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.552 179.438 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.542 ' N ' HG23 ' A' ' 13' ' ' VAL . 85.0 p -50.69 -36.86 38.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.55 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -69.75 -32.19 70.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.536 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -7.57 17.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.564 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.414 ' CG ' ' O ' ' A' ' 14' ' ' SER . 11.8 pt20 -64.55 -6.13 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.7 mt -126.88 98.09 5.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.506 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.485 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.39 -11.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.59 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 97.5 m-20 -84.69 -39.51 18.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' LEU . 78.8 mm-40 -73.59 -45.7 51.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.648 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.594 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 21.5 t -55.02 -58.97 5.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.643 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.59 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 11.0 p-10 -58.95 -44.7 91.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.615 -178.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -59.31 -56.87 16.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.704 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -54.3 -41.64 69.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.709 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.625 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -54.0 -50.37 66.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.557 -179.758 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.682 ' O ' ' N ' ' A' ' 31' ' ' HIS . 15.0 mtpp -65.47 -51.38 60.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.716 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.4 mt -54.62 -28.64 48.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.653 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -93.6 -51.56 4.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.577 -177.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.494 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 57.2 mmtt -106.84 -19.76 13.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.659 -176.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.682 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.0 m80 70.79 48.52 0.41 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.603 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.566 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -88.47 -163.13 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.494 178.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.536 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 18.0 mmt180 -86.07 -53.26 5.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.574 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 39.3 m -128.1 -78.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.583 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.594 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 86.75 56.08 2.3 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -74.44 173.55 10.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.737 0.303 . . . . 0.0 110.646 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.555 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 65.4 m -81.67 151.62 27.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.586 -178.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.7 ' CG ' HD12 ' A' ' 48' ' ' ILE . 57.5 m-85 -143.0 148.57 36.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.67 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.491 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 16.6 m-85 -93.82 109.36 21.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.497 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -82.01 -161.34 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.549 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -68.58 -40.31 80.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.599 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.415 ' HZ2' ' HB3' ' A' ' 42' ' ' LYS . 15.8 mtpp -74.69 2.95 8.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.565 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.1 mmm-85 59.76 35.13 22.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.747 HD21 ' H ' ' A' ' 44' ' ' ASN . 0.1 OUTLIER -107.96 120.69 43.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.55 179.835 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.491 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 6.0 mt -51.52 113.47 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 38' ' ' PHE . 34.4 mm-40 -121.94 140.65 52.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.504 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 76.1 m -84.3 122.38 28.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.62 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.7 HD12 ' CG ' ' A' ' 38' ' ' PHE . 46.9 mt -103.96 91.75 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.6 106.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.561 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.916 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 19.0 p30 -92.65 121.36 34.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.547 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.64 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 46.7 m-85 -100.11 62.92 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.639 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.64 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 6.2 m -170.91 -172.86 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -94.58 80.36 3.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.576 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.597 179.739 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.661 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 18.6 m . . . . . 0 CA--C 1.517 -0.324 0 CA-C-O 117.325 -1.322 . . . . 0.0 112.168 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -132.19 136.02 46.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 119.641 1.109 . . . . 0.0 110.604 -178.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -135.94 116.08 13.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.602 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.5 p -76.39 137.78 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.542 -177.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.625 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.4 m-85 -84.8 135.51 34.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.569 178.368 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.524 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 36.0 mp0 -118.17 136.29 53.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.516 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 68.38 58.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 179.244 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -131.35 152.57 80.76 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.78 123.72 12.81 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.845 2.363 . . . . 0.0 112.166 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.55 HG23 ' N ' ' A' ' 14' ' ' SER . 34.1 m -77.62 -44.76 29.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.573 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.55 ' N ' HG23 ' A' ' 13' ' ' VAL . 22.6 m -51.0 -38.06 48.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.566 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -71.75 -30.33 65.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.591 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -60.17 -16.04 29.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.598 179.808 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.446 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.5 pt20 -63.81 -0.69 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.516 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.574 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.5 mt -127.01 89.81 3.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.527 179.303 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.448 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -43.73 -14.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.618 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.597 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 98.6 m-20 -85.26 -36.22 21.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.651 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 18' ' ' LEU . 85.9 mm-40 -75.62 -49.28 18.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.59 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 2.7 t -56.46 -57.68 11.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.726 -178.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.597 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 21.6 p-10 -56.11 -43.27 77.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.718 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -59.78 -47.27 86.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.678 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -63.8 -41.91 97.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.7 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.625 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -53.69 -50.58 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.638 -179.689 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.622 ' O ' ' N ' ' A' ' 31' ' ' HIS . 43.0 mtpt -65.47 -51.65 58.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.665 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.3 mt -56.09 -28.5 57.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.656 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -92.48 -54.39 3.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.604 -177.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.503 ' C ' ' CG ' ' A' ' 31' ' ' HIS . 53.2 mmtt -104.63 -20.22 13.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.574 -176.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.622 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.1 m80 73.14 48.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.642 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.554 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -87.72 -165.53 1.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.516 178.153 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.611 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 20.0 mmt-85 -83.95 -53.43 5.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.561 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.3 m -127.88 -75.97 0.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.66 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.736 ' O ' ' SG ' ' A' ' 47' ' ' CYS . . . 86.51 61.15 1.65 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -79.61 168.12 19.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.719 0.295 . . . . 0.0 110.629 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.578 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 73.5 m -81.02 147.76 30.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.499 -178.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.713 ' CG ' HD12 ' A' ' 48' ' ' ILE . 65.0 m-85 -139.68 148.18 42.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.667 178.419 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.456 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 15.8 m-85 -92.14 109.75 21.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.518 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.577 ' OD2' ' NE2' ' A' ' 46' ' ' GLN . 88.0 m-20 -85.87 -161.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.583 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -72.33 -39.62 68.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.596 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -71.07 2.34 4.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.615 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.8 mmm-85 58.86 29.7 19.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 44' ' ' ASN . 17.5 p-10 -109.2 114.97 29.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.456 HD22 ' CZ ' ' A' ' 39' ' ' TYR . 5.8 mt -46.02 116.83 1.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.577 ' NE2' ' OD2' ' A' ' 40' ' ' ASP . 2.8 mt-30 -122.01 142.12 50.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.736 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -86.72 124.76 33.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.553 179.561 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.713 HD12 ' CG ' ' A' ' 38' ' ' PHE . 63.0 mt -102.35 91.01 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.495 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.79 114.22 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.567 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.836 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 11.0 p30 -102.63 133.05 48.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.639 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 61.4 m-85 -110.82 63.07 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.581 178.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.639 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 10.0 m -169.07 -171.66 1.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.545 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -100.74 80.04 2.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.577 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.422 ' CD2' ' OD2' ' A' ' 50' ' ' ASP . 33.3 p90 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.525 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.637 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 24.4 m . . . . . 0 CA--C 1.517 -0.305 0 CA-C-O 117.266 -1.35 . . . . 0.0 111.845 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -130.78 132.41 45.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 119.715 1.143 . . . . 0.0 110.561 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -128.45 112.48 14.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.622 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.431 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 41.3 t -75.11 135.97 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.523 -177.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.618 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.8 m-85 -87.63 126.33 34.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 178.026 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 7' ' ' VAL . 50.8 mp0 -107.73 134.34 50.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.645 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.469 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.53 59.47 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.592 179.01 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -131.76 132.63 23.43 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.505 178.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -45.94 124.23 7.01 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.816 2.344 . . . . 0.0 112.192 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.538 HG23 ' N ' ' A' ' 14' ' ' SER . 17.4 m -76.89 -43.24 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.538 ' N ' HG23 ' A' ' 13' ' ' VAL . 28.1 m -50.22 -37.46 35.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -69.18 -31.32 69.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.505 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -7.35 21.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.45 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.4 pt20 -64.37 -7.07 8.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.535 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.565 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.8 mt -126.45 98.32 5.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.494 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.94 -10.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.605 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 97.7 m-20 -84.7 -40.19 17.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 18' ' ' LEU . 76.7 mm-40 -73.56 -45.62 52.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.639 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.588 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 19.0 t -54.84 -59.36 4.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.597 -179.117 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.605 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.6 p-10 -57.86 -46.54 84.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.686 -178.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -58.91 -57.66 12.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.67 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -52.51 -40.08 62.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.706 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.618 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -55.21 -49.45 71.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.662 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.665 ' O ' ' N ' ' A' ' 31' ' ' HIS . 36.9 mtmt -65.32 -50.89 63.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.706 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.1 mt -54.82 -28.33 48.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.658 -178.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -94.09 -52.13 4.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.583 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.498 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 35.3 mmtm -109.03 -15.32 14.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.583 -175.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.665 ' N ' ' O ' ' A' ' 27' ' ' LYS . 41.5 m80 65.04 53.67 1.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.638 179.328 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.561 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -93.53 -169.22 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.542 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.581 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 17.4 mmt85 -77.32 -53.45 7.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.567 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.464 ' OG ' ' OD2' ' A' ' 50' ' ' ASP . 5.8 p -130.12 -77.8 0.54 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.588 178.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.588 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.4 54.81 2.46 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -73.4 173.79 9.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.773 0.321 . . . . 0.0 110.676 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.576 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 63.1 m -82.72 151.42 26.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.561 -178.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.682 ' CG ' HD12 ' A' ' 48' ' ' ILE . 56.5 m-85 -142.33 144.78 33.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.646 177.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.462 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 17.7 m-85 -90.96 109.64 20.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.581 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -88.22 -158.65 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.582 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -72.38 -39.63 67.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.546 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -71.75 3.92 3.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.553 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.7 mtm180 57.32 18.25 4.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.605 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.424 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 17.9 p-10 -97.78 114.87 27.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.581 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.462 HD22 ' CZ ' ' A' ' 39' ' ' TYR . 5.9 mt -46.31 118.72 2.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.569 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.575 ' NE2' ' O ' ' A' ' 8' ' ' TYR . 1.6 mt-30 -121.77 139.65 53.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.492 179.489 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 78.4 m -84.66 123.05 29.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.607 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.682 HD12 ' CG ' ' A' ' 38' ' ' PHE . 42.9 mt -103.94 91.54 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.558 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.29 107.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.556 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.857 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 17.1 p30 -96.62 127.55 42.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.522 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.641 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 62.4 m-85 -104.73 62.82 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.667 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.641 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 8.5 m -169.46 -173.2 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.563 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -98.39 79.81 2.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.647 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.0 p90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.563 179.69 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.699 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 16.1 m . . . . . 0 CA--C 1.534 0.358 0 CA-C-O 117.073 -1.442 . . . . 0.0 111.429 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -133.59 134.68 43.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 119.922 1.237 . . . . 0.0 110.599 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -134.07 114.07 12.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.55 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.9 t -74.28 137.15 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.514 -177.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.623 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.7 m-85 -87.52 125.14 34.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.62 177.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -106.03 135.87 46.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.59 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.472 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 66.1 58.16 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.573 179.21 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -130.41 131.44 23.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.52 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -46.02 123.97 6.84 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.83 2.353 . . . . 0.0 112.192 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.527 HG23 ' N ' ' A' ' 14' ' ' SER . 32.9 m -76.73 -42.8 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.553 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.527 ' N ' HG23 ' A' ' 13' ' ' VAL . 24.6 m -50.05 -37.97 35.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.544 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -70.77 -31.8 68.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.509 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -7.07 17.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.635 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.457 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.4 pt20 -64.8 -7.87 12.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.554 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.5 mt -123.47 98.74 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.517 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.494 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -46.01 -11.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.617 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.608 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 100.0 m-20 -84.93 -41.22 16.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -72.85 -44.3 61.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.628 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.585 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 28.1 t -55.63 -59.38 4.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.643 -179.077 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.608 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.5 p-10 -58.88 -45.82 89.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.66 -178.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -58.54 -57.58 12.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.696 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -53.5 -41.21 66.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.712 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.623 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -54.55 -50.58 67.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.725 -179.808 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.69 ' O ' ' N ' ' A' ' 31' ' ' HIS . 45.5 mtpt -64.66 -51.96 59.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.637 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.5 mt -54.72 -28.24 46.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.642 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -91.99 -52.77 4.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.552 -178.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.499 ' C ' ' CG ' ' A' ' 31' ' ' HIS . 55.6 mmtt -107.67 -19.44 13.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.605 -176.029 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.69 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.0 m80 72.51 47.59 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.619 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.574 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -87.19 -164.45 1.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.527 178.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.533 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 11.7 mmt-85 -85.88 -52.78 5.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.563 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 36.2 m -127.7 -78.52 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.67 178.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.578 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 86.25 55.77 2.42 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 178.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -73.93 173.64 9.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 0.0 110.673 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.585 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 68.7 m -81.57 152.01 27.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.509 -178.694 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.69 ' CG ' HD12 ' A' ' 48' ' ' ILE . 64.6 m-85 -144.32 150.03 37.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.6 177.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.478 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 16.7 m-85 -95.47 108.71 20.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.509 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -80.19 -157.68 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.573 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -69.13 -39.67 78.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.565 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -76.55 7.89 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.569 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 59.03 17.9 5.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.606 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.587 HD21 ' H ' ' A' ' 44' ' ' ASN . 0.1 OUTLIER -88.33 133.76 33.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.652 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.478 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 6.1 mt -66.13 116.6 7.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.587 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.604 ' NE2' ' O ' ' A' ' 8' ' ' TYR . 30.2 mm100 -126.33 142.97 51.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.568 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.8 m -85.44 124.21 31.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.594 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.69 HD12 ' CG ' ' A' ' 38' ' ' PHE . 51.5 mt -103.67 91.49 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.556 179.061 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.44 110.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.597 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.881 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 17.5 p30 -98.14 125.01 42.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.699 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 54.2 m-85 -103.23 61.04 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.636 178.655 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -156.92 -175.65 5.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.636 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.8 mp0 -88.28 81.9 7.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.546 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.435 ' CE2' ' OG ' ' A' ' 34' ' ' SER . 43.1 p90 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.542 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.617 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 27.6 m . . . . . 0 CA--C 1.517 -0.316 0 CA-C-O 117.247 -1.359 . . . . 0.0 112.11 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -130.08 130.29 44.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 119.776 1.171 . . . . 0.0 110.55 -178.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -126.27 112.42 15.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.64 177.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.507 ' CG1' ' NE2' ' A' ' 46' ' ' GLN . 45.4 t -75.69 136.45 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.491 -177.243 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.611 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.9 m-85 -87.81 125.48 34.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.619 178.152 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 7' ' ' VAL . 50.9 mp0 -106.83 135.1 48.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.607 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.472 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.7 OUTLIER 66.35 59.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.559 179.225 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -131.58 132.65 23.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.571 178.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -45.97 123.88 6.68 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.858 2.372 . . . . 0.0 112.116 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.55 HG23 ' N ' ' A' ' 14' ' ' SER . 22.7 m -76.39 -43.52 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.606 179.328 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.55 ' N ' HG23 ' A' ' 13' ' ' VAL . 22.9 t -49.74 -37.73 30.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.58 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -68.71 -31.16 70.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.53 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -7.22 22.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.446 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.2 pt20 -64.82 -7.1 9.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.524 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.5 mt -127.15 98.96 5.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.522 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.483 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.71 -11.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.606 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.607 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.8 m-20 -83.75 -40.08 19.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.582 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 18' ' ' LEU . 80.6 mm-40 -74.03 -45.12 51.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.557 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.583 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 34.7 t -54.33 -58.95 5.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.692 -179.246 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.607 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 11.0 p-10 -59.42 -47.42 85.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.681 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -56.71 -58.67 7.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.665 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -52.49 -40.4 62.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.731 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.611 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.92 -49.3 71.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.654 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.711 ' O ' ' N ' ' A' ' 31' ' ' HIS . 27.9 mttp -63.74 -54.04 41.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.713 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.1 mt -54.66 -28.83 50.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.719 -177.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -90.41 -49.26 6.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.61 -177.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.495 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 63.7 mmtt -114.11 -20.4 10.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.644 -175.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.711 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.2 m80 71.55 57.45 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.624 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.611 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -97.21 -167.81 1.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.503 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.536 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 12.2 mmm180 -83.35 -51.45 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.614 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.455 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 28.4 m -126.66 -78.39 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.586 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.583 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 86.82 53.84 2.77 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.003 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -75.06 171.54 13.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 110.673 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 68.0 m -81.95 151.61 27.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.538 -178.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.735 ' CG ' HD12 ' A' ' 48' ' ' ILE . 48.1 m-85 -141.19 147.53 38.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.549 177.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.475 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 18.2 m-85 -96.06 108.78 21.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.52 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.431 ' OD2' ' NE2' ' A' ' 46' ' ' GLN . 75.5 m-20 -85.53 -160.02 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 179.209 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -69.16 -39.48 78.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.62 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -71.98 4.38 3.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.631 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 58.67 18.23 5.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.575 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -94.18 130.35 40.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.59 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.475 HD22 ' CZ ' ' A' ' 39' ' ' TYR . 4.7 mt -61.99 117.88 6.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.613 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.507 ' NE2' ' CG1' ' A' ' 7' ' ' VAL . 20.3 mt-30 -122.03 138.3 54.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.634 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 69.5 m -83.43 122.43 28.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.735 HD12 ' CG ' ' A' ' 38' ' ' PHE . 41.2 mt -103.24 92.41 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.0 104.23 0.35 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.569 179.218 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.899 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 21.0 p30 -90.56 119.89 31.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.484 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.625 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 43.9 m-85 -97.67 63.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.625 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 6.0 m -170.13 -174.82 1.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.632 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mp0 -82.21 80.02 8.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.603 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.559 179.392 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.622 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 32.5 m . . . . . 0 CA--C 1.518 -0.28 0 CA-C-O 117.032 -1.461 . . . . 0.0 112.054 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.488 ' NZ ' ' CB ' ' A' ' 5' ' ' LYS . 4.9 mtpm? -137.73 137.38 38.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 119.914 1.234 . . . . 0.0 110.589 -178.542 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.473 ' HB2' ' HZ2' ' A' ' 6' ' ' LYS . 6.9 mtpm? -133.72 116.92 16.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.593 178.122 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.3 t -74.48 137.22 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.545 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.629 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.8 m-85 -87.17 124.11 32.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.566 177.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -105.98 135.27 47.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.481 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.32 57.7 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.593 179.135 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -130.87 135.69 27.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.522 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -45.71 124.29 6.76 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.784 2.323 . . . . 0.0 112.192 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.457 HG22 ' OD1' ' A' ' 44' ' ' ASN . 11.4 t -76.8 -46.5 30.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.562 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.437 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 22.8 t -49.72 -37.03 27.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.578 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -66.22 -31.13 71.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.569 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -10.88 34.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.585 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.437 ' OE1' ' O ' ' A' ' 14' ' ' SER . 9.1 pt20 -64.55 -3.34 3.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.548 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.562 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.8 mt -129.67 96.28 4.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.487 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.501 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.77 -11.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.561 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.617 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.6 m-20 -84.24 -41.44 16.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.561 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -72.91 -44.1 61.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.56 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.566 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 35.3 t -54.91 -59.26 4.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.702 -179.245 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.617 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 12.4 p-10 -59.75 -44.12 93.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.638 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -59.75 -57.41 13.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.669 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -53.57 -42.18 67.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.678 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.629 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -53.49 -49.76 66.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.753 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.668 ' O ' ' N ' ' A' ' 31' ' ' HIS . 46.7 mtpt -66.12 -50.29 64.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.687 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.9 mt -54.89 -28.02 47.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.613 -178.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -94.62 -52.0 4.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.622 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.512 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 55.1 mmtt -107.62 -17.02 14.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.618 -176.308 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.668 ' N ' ' O ' ' A' ' 27' ' ' LYS . 44.5 m80 66.28 50.59 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.593 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.528 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -88.61 -163.7 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.524 178.361 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.576 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 30.6 mmt-85 -83.86 -53.15 5.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.62 178.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 36.9 m -128.84 -78.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.559 178.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.566 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.1 55.78 2.31 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -75.96 173.9 10.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 110.667 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.539 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 85.3 m -81.74 149.92 28.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.557 -178.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.539 ' CG ' HD12 ' A' ' 48' ' ' ILE . 88.1 m-85 -146.25 146.38 30.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.561 177.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.505 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 13.2 m-85 -89.78 111.33 22.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.584 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.402 ' HB2' HE21 ' A' ' 46' ' ' GLN . 82.4 m-20 -90.82 -160.23 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.624 179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -82.73 11.04 6.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.59 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -111.51 3.75 18.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 56.05 17.15 2.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.564 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.602 ' OD1' ' C ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -114.0 120.7 41.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.643 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.505 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 9.4 mt -47.66 122.75 5.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.537 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 44' ' ' ASN . 17.5 mt-30 -125.17 141.17 52.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.53 179.121 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.0 m -85.33 123.8 31.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.644 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.539 HD12 ' CG ' ' A' ' 38' ' ' PHE . 49.7 mt -106.51 93.59 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.678 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.67 111.72 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.558 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.893 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 17.2 p30 -97.73 124.91 42.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.612 179.352 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.648 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 48.2 m-85 -103.38 62.62 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.63 179.054 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.648 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.9 m -169.93 -173.6 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.638 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -95.45 79.75 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.513 179.645 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.57 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 37.2 m . . . . . 0 CA--C 1.522 -0.112 0 CA-C-O 117.009 -1.472 . . . . 0.0 111.867 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -132.15 138.71 48.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 119.908 1.231 . . . . 0.0 110.599 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -135.52 115.93 13.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.574 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.43 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 22.9 t -75.93 138.16 21.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.51 -177.361 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.627 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.8 m-85 -87.19 126.29 34.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.584 177.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.434 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 52.6 mp0 -103.7 131.68 50.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.595 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 61.84 73.57 0.47 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.589 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -139.12 144.14 39.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.494 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -46.16 123.4 6.39 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.877 2.385 . . . . 0.0 112.248 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.617 HG13 ' N ' ' A' ' 14' ' ' SER . 7.4 p -78.94 -48.88 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.51 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.617 ' N ' HG13 ' A' ' 13' ' ' VAL . 90.1 p -50.32 -35.29 26.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.516 -178.483 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.6 mmtm -67.76 -30.76 70.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.447 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -15.01 61.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.572 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.411 ' CG ' ' O ' ' A' ' 14' ' ' SER . 11.9 pt20 -64.75 -1.89 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.533 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.585 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.9 mt -131.95 96.54 3.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.538 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.447 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.04 -12.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.627 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.614 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 98.6 m-20 -82.06 -39.88 22.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.604 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' LEU . 92.1 mm-40 -74.54 -46.6 37.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.624 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.592 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 43.3 t -52.54 -59.44 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.64 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.614 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 14.5 p-10 -59.67 -46.74 88.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.747 -178.662 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -56.95 -59.06 5.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.714 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -52.61 -41.9 64.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.683 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.627 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.72 -48.85 71.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.637 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.685 ' O ' ' N ' ' A' ' 31' ' ' HIS . 30.5 mttp -64.93 -52.91 53.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.597 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.7 mt -54.67 -28.98 51.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.615 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -92.35 -50.22 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.629 -177.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.507 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 58.2 mmtt -112.23 -18.37 12.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.617 -176.02 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.685 ' N ' ' O ' ' A' ' 27' ' ' LYS . 44.5 m80 66.6 60.11 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.602 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.562 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -96.98 -166.65 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.526 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.566 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 13.1 mmt85 -84.16 -49.8 8.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.619 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 38.0 m -127.16 -79.06 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.592 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.87 55.23 2.31 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -78.61 171.98 14.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.658 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 83.0 m -82.45 150.87 26.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.546 -178.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.662 ' CG ' HD12 ' A' ' 48' ' ' ILE . 62.3 m-85 -142.32 146.82 35.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.632 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.517 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 14.8 m-85 -92.71 109.69 21.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.539 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.579 ' OD2' ' NE2' ' A' ' 46' ' ' GLN . 69.6 m-20 -85.71 -150.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.58 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.664 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 1.9 pm0 -80.13 -40.94 26.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.594 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -70.93 3.14 3.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.605 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 mmm-85 57.04 32.24 21.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.555 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.405 ' O ' ' CG ' ' A' ' 44' ' ' ASN . 17.2 p-10 -110.21 116.79 32.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.58 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.517 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 10.3 mt -46.14 114.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.518 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.579 ' NE2' ' OD2' ' A' ' 40' ' ' ASP . 2.6 mt-30 -119.16 139.01 52.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 65.3 m -83.57 123.57 29.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.685 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.662 HD12 ' CG ' ' A' ' 38' ' ' PHE . 37.9 mt -105.97 94.38 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.56 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.7 111.33 2.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.583 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.863 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 17.5 p30 -98.45 127.63 44.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.509 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.65 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 58.8 m-85 -105.62 62.99 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.559 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.65 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.4 m -170.45 -172.63 1.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.552 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -93.22 79.88 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.615 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.542 179.692 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 35.2 m . . . . . 0 CA--C 1.519 -0.228 0 CA-C-O 117.103 -1.427 . . . . 0.0 112.446 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -129.59 131.22 46.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 119.824 1.193 . . . . 0.0 110.568 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -126.17 112.07 15.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.609 177.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.0 t -75.65 135.9 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.481 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.627 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 3.0 m-85 -86.38 135.47 33.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.598 177.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -119.02 135.46 54.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.6 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.523 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.72 60.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.604 179.432 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -132.04 153.23 81.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.51 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.88 123.87 13.43 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.774 2.316 . . . . 0.0 112.26 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.585 HG13 ' N ' ' A' ' 14' ' ' SER . 9.9 p -76.49 -46.19 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.533 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.585 ' N ' HG13 ' A' ' 13' ' ' VAL . 24.6 m -51.44 -35.69 40.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.534 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.0 mmtm -66.22 -32.73 74.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.515 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -10.58 28.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.539 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' A' ' 14' ' ' SER . 9.6 pt20 -64.01 -4.46 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.577 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.593 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.9 mt -130.99 96.59 4.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.62 179.041 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.47 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.26 -12.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.588 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.6 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 95.2 m-20 -83.05 -38.86 21.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 18' ' ' LEU . 91.2 mm-40 -74.31 -46.84 38.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.594 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.583 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 34.2 t -53.68 -58.68 6.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.709 -179.101 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.6 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 12.4 p-10 -59.53 -44.66 93.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.624 -178.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -59.56 -56.47 21.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.688 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.74 -42.55 68.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.718 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.627 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.14 -50.41 67.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.655 -179.816 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.66 ' O ' ' N ' ' A' ' 31' ' ' HIS . 25.1 mtmt -66.21 -49.59 66.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.697 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.8 mt -54.93 -29.11 55.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.616 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -96.4 -50.1 4.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.586 -177.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.505 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 56.6 mmtt -107.05 -16.82 14.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.584 -176.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.66 ' N ' ' O ' ' A' ' 27' ' ' LYS . 38.9 m80 63.83 49.82 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.613 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.507 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -88.68 -163.47 0.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.546 178.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.573 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 18.1 mmm180 -82.64 -54.22 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.553 179.189 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 33.4 m -128.78 -78.3 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.603 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.583 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 88.03 56.43 2.07 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 178.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -76.47 174.3 10.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.575 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.524 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 71.1 m -82.76 150.34 26.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.543 -178.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.585 ' CG ' HD12 ' A' ' 48' ' ' ILE . 83.4 m-85 -145.43 141.45 28.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.601 177.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.498 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 14.0 m-85 -85.46 120.08 26.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 -178.597 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.452 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 54.3 p-10 -97.46 -151.26 0.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.611 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.43 ' OE1' ' N ' ' A' ' 41' ' ' GLU . 52.6 mp0 -79.4 -39.74 31.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -70.15 3.39 2.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.599 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 56.31 30.12 16.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.528 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.472 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 12.9 p-10 -113.04 120.21 40.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 179.531 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.498 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 10.9 mt -46.46 117.08 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.563 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 38' ' ' PHE . 9.5 mt-30 -118.04 140.06 50.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.594 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 66.9 m -86.16 123.1 31.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.568 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.585 HD12 ' CG ' ' A' ' 38' ' ' PHE . 46.6 mt -107.32 93.87 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.35 104.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.523 179.207 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.897 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 21.7 p30 -88.43 113.96 24.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.592 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.653 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 32.9 m-85 -92.97 62.31 3.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.631 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.653 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 5.1 m -172.16 -174.51 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.558 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -89.84 80.18 6.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.587 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.575 179.763 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 51.7 p30 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.822 0.344 . . . . 0.0 110.564 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -62.65 -25.82 68.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.598 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.617 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 34.6 m -67.55 36.25 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 117.095 -1.431 . . . . 0.0 112.18 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -130.8 137.63 49.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 119.86 1.209 . . . . 0.0 110.593 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -135.11 116.38 14.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.55 178.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.9 t -76.59 137.08 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.495 -177.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.633 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.7 m-85 -85.95 125.85 33.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.587 177.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -107.35 135.33 49.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.462 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.7 OUTLIER 66.03 59.56 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.626 179.171 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -131.33 133.59 24.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.551 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -46.37 124.0 7.34 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.846 2.364 . . . . 0.0 112.176 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.523 HG23 ' N ' ' A' ' 14' ' ' SER . 28.1 m -76.56 -42.24 34.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.531 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.523 ' N ' HG23 ' A' ' 13' ' ' VAL . 33.4 t -50.58 -38.28 44.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.548 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -68.39 -31.0 70.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.536 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -7.05 27.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.449 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.1 pt20 -64.35 -6.25 6.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.492 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.7 mt -128.88 99.67 5.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.591 178.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.478 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.58 -11.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.581 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.603 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.6 m-20 -84.57 -40.27 17.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.558 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 18' ' ' LEU . 80.4 mm-40 -73.21 -44.55 59.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.625 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.605 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 19.5 t -55.8 -58.89 5.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.694 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.603 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.4 p-10 -59.19 -43.73 92.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.678 -178.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -60.49 -54.8 41.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.709 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -56.25 -41.8 76.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.686 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.633 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -53.78 -49.78 67.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.625 -179.71 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.667 ' O ' ' N ' ' A' ' 31' ' ' HIS . 45.2 mtpt -66.61 -50.65 62.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.653 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.2 mt -54.84 -27.64 43.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.632 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -94.93 -52.36 4.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.596 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.509 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 35.1 mmtm -107.32 -17.22 14.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.6 -176.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.667 ' N ' ' O ' ' A' ' 27' ' ' LYS . 43.7 m80 66.67 54.42 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.569 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.585 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -92.97 -162.95 0.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.487 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.6 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 19.7 mmt-85 -84.45 -52.82 5.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.572 178.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 28.4 m -129.09 -78.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.591 178.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.605 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 86.34 56.03 2.36 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -75.08 173.68 10.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.327 . . . . 0.0 110.666 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.558 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 62.8 m -81.3 151.99 27.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.578 -178.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.703 ' CG ' HD12 ' A' ' 48' ' ' ILE . 57.4 m-85 -143.12 144.13 32.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.612 177.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.488 ' CE2' ' CD2' ' A' ' 45' ' ' LEU . 21.3 m-85 -92.57 109.95 21.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.553 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.427 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 49.9 p-10 -87.2 -155.14 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.631 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.5 mp0 -73.13 -38.69 66.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.605 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -72.19 3.81 4.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.609 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 58.9 17.45 5.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.58 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.427 ' OD1' ' OD2' ' A' ' 40' ' ' ASP . 8.8 p-10 -95.16 131.64 40.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.562 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.488 ' CD2' ' CE2' ' A' ' 39' ' ' TYR . 7.7 mt -60.5 117.37 5.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.56 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' A' ' 38' ' ' PHE . 27.6 mt-30 -120.96 137.04 54.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.528 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.3 m -84.49 120.8 26.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.703 HD12 ' CG ' ' A' ' 38' ' ' PHE . 50.1 mt -102.66 92.56 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.49 112.3 2.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.57 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.898 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 16.5 p30 -99.49 124.69 44.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.523 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.643 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 59.4 m-85 -103.23 62.62 0.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.579 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.643 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.2 m -170.58 -173.04 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.605 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -98.38 79.57 2.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.57 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.61 179.659 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.774 0.321 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -65.59 -45.6 82.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.0 m -99.19 -18.04 17.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -85.25 132.92 34.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.607 -176.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -131.91 119.18 20.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.561 177.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.461 ' CG1' HE21 ' A' ' 46' ' ' GLN . 59.8 t -76.17 137.14 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.509 -177.136 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.641 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.4 m-85 -85.46 128.06 34.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.628 177.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.507 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 55.9 mp0 -107.29 132.56 52.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.615 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.483 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.7 OUTLIER 64.84 67.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.561 178.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -136.3 135.39 20.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.583 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -46.11 123.72 6.68 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.797 2.331 . . . . 0.0 112.169 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.559 HG23 ' N ' ' A' ' 14' ' ' SER . 24.8 m -77.5 -44.03 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.587 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.559 ' N ' HG23 ' A' ' 13' ' ' VAL . 24.3 t -50.34 -37.92 39.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.541 -179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -69.19 -32.02 71.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.536 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.7 OUTLIER -70.12 -5.42 26.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.581 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.456 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.7 pt20 -62.66 -8.43 6.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.531 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.8 mt -126.66 102.96 7.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.576 178.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.485 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.16 -13.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.588 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.573 ' N ' ' O ' ' A' ' 18' ' ' LEU . 96.1 m-20 -83.77 -36.91 23.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.564 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 18' ' ' LEU . 83.5 mm-40 -74.16 -47.36 36.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.573 ' SG ' ' N ' ' A' ' 37' ' ' CYS . 35.0 t -53.02 -58.78 5.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.697 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.567 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.7 p-10 -59.16 -44.84 92.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.691 -178.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -58.75 -55.53 33.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.637 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -55.07 -41.38 71.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.71 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.641 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -55.32 -50.15 70.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.649 -179.818 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.623 ' O ' ' N ' ' A' ' 31' ' ' HIS . 5.1 mtpm? -64.44 -53.52 46.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.645 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.6 mt -56.23 -27.88 56.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.666 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -90.16 -56.22 3.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.633 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.521 ' C ' ' CG ' ' A' ' 31' ' ' HIS . 52.6 mmtt -105.27 -20.23 13.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.615 -176.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.623 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.3 m80 74.21 51.08 0.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.573 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.55 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -91.64 -165.92 1.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.55 178.176 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.589 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 14.1 mmt180 -81.96 -54.04 5.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.618 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 58.4 m -128.67 -77.38 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.629 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.51 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 85.64 54.87 2.68 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 177.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.491 ' C ' ' SG ' ' A' ' 22' ' ' CYS . 77.7 mm-40 -71.85 163.79 27.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.349 . . . . 0.0 110.588 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.573 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -89.59 148.56 23.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.585 -178.483 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.556 ' CD1' HD12 ' A' ' 48' ' ' ILE . 49.6 m-85 -134.39 157.52 46.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.657 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.448 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 11.1 m-85 -95.33 112.01 23.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.572 -179.128 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.443 ' OD2' ' NE2' ' A' ' 46' ' ' GLN . 75.3 m-20 -92.63 -159.97 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.527 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 47.8 mp0 -71.1 -39.73 71.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.583 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -71.83 3.85 3.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.558 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 57.7 16.96 3.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.544 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 44' ' ' ASN . 17.9 p-10 -99.21 113.6 25.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.58 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.448 HD22 ' CZ ' ' A' ' 39' ' ' TYR . 3.4 mt -47.85 124.4 7.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.574 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.461 HE21 ' CG1' ' A' ' 7' ' ' VAL . 4.8 mt-30 -123.7 130.78 53.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.574 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.413 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 67.5 m -78.33 120.93 23.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.576 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.556 HD12 ' CD1' ' A' ' 38' ' ' PHE . 68.9 mt -101.63 89.68 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.531 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.34 117.77 5.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.542 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.967 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 18.4 p30 -105.91 115.79 30.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.572 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.6 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 61.0 m-85 -95.93 60.6 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.581 178.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.6 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.4 m -168.55 -174.87 2.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.588 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -100.09 79.27 2.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.53 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 43.9 p90 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.621 179.424 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 52.6 p30 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.839 0.352 . . . . 0.0 110.559 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -63.36 -25.93 68.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.552 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.632 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 28.8 m -68.34 37.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 117.172 -1.394 . . . . 0.0 111.908 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -130.9 138.49 49.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 119.708 1.14 . . . . 0.0 110.607 -178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.448 ' HB2' ' HZ2' ' A' ' 6' ' ' LYS . 6.8 mtpm? -135.23 115.15 13.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.683 178.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.432 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 61.0 t -75.28 137.97 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.556 -177.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.602 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 3.0 m-85 -86.41 132.13 34.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.545 177.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 54.4 mp0 -114.87 133.46 55.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 179.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.524 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.14 64.07 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.529 179.058 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -133.91 152.96 79.57 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.508 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.84 123.61 13.31 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.813 2.342 . . . . 0.0 112.153 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.6 t -78.3 -48.83 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.589 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.454 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 20.4 m -50.03 -36.33 28.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 -178.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -70.53 -30.33 67.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.513 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.5 OUTLIER -69.34 -6.5 30.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.55 179.678 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.454 ' OE1' ' O ' ' A' ' 14' ' ' SER . 11.1 pt20 -62.5 -7.9 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.512 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.572 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.8 mt -125.49 101.72 7.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.529 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.468 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.23 -13.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.608 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.59 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 97.2 m-20 -83.04 -37.43 23.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.602 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 18' ' ' LEU . 93.1 mm-40 -74.38 -47.04 36.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.55 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.565 ' SG ' ' N ' ' A' ' 37' ' ' CYS . 36.7 t -52.76 -59.1 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.676 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.59 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 15.1 p-10 -59.27 -46.82 87.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.652 -178.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -55.5 -59.44 4.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.686 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -52.7 -39.99 62.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.648 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.602 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.73 -49.14 71.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.634 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.688 ' O ' ' N ' ' A' ' 31' ' ' HIS . 24.4 mttp -63.98 -54.53 32.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.645 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 72.0 mt -54.73 -28.43 48.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.632 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -91.74 -51.0 5.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.614 -177.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.495 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 54.9 mmtt -110.32 -21.16 12.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 -176.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.688 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.2 m80 72.26 52.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.62 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.535 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -93.37 -170.44 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.482 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.562 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 9.9 mmt85 -81.06 -52.46 7.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.589 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 37.5 m -125.46 -77.69 0.59 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.65 178.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.517 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 84.02 51.94 3.81 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.485 ' C ' ' SG ' ' A' ' 22' ' ' CYS . 77.9 mm-40 -72.84 163.33 28.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 110.589 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.565 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -87.14 146.4 26.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.549 -178.826 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.527 ' CD1' HD12 ' A' ' 48' ' ' ILE . 32.6 m-85 -131.22 157.54 42.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.543 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 6.8 m-85 -93.78 114.58 26.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.551 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.595 ' OD2' ' NE2' ' A' ' 46' ' ' GLN . 85.3 m-20 -94.73 -162.29 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.601 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -70.77 -40.03 72.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.654 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -70.98 2.7 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 57.94 28.59 16.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.561 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' A' ' 44' ' ' ASN . 17.7 p-10 -110.29 113.91 26.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.442 ' C ' ' SG ' ' A' ' 37' ' ' CYS . 12.3 mt -46.58 120.87 3.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.556 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.595 ' NE2' ' OD2' ' A' ' 40' ' ' ASP . 4.5 mt-30 -122.17 133.5 54.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 68.5 m -79.38 124.56 28.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.628 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.527 HD12 ' CD1' ' A' ' 38' ' ' PHE . 66.2 mt -106.16 90.47 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.32 115.99 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.5 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.843 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 12.8 p30 -103.93 131.29 51.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.619 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 61.5 m-85 -109.92 63.33 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.621 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.619 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.5 m -169.06 -172.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.593 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.7 mp0 -98.75 79.31 2.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.574 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.586 179.623 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.814 0.34 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -64.13 -32.11 73.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.54 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.8 m -67.44 -21.33 65.56 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.828 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -81.99 135.31 35.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.578 -176.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.484 ' HB2' ' HZ2' ' A' ' 6' ' ' LYS . 7.0 mtpm? -133.09 115.91 15.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 177.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.422 ' CG1' HE21 ' A' ' 46' ' ' GLN . 43.4 t -73.16 136.99 24.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 -176.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.619 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.6 m-85 -85.9 132.61 34.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.551 177.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.52 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 57.2 mp0 -114.72 133.87 55.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.592 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.531 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.44 64.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.532 178.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -134.61 152.25 77.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.565 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -64.02 124.45 13.54 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.837 2.358 . . . . 0.0 112.176 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.563 HG23 ' N ' ' A' ' 14' ' ' SER . 34.2 m -77.59 -45.21 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.591 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.563 ' N ' HG23 ' A' ' 13' ' ' VAL . 15.6 m -50.5 -37.67 40.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.592 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -71.73 -31.19 66.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.525 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.5 OUTLIER -69.25 -5.61 24.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.538 179.657 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.415 ' CG ' ' O ' ' A' ' 14' ' ' SER . 15.8 pt20 -62.81 -9.17 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.506 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.563 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.8 mt -123.73 102.67 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.496 179.002 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.448 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.52 -13.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.565 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.4 m-20 -83.81 -36.12 23.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.596 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 18' ' ' LEU . 89.2 mm-40 -75.08 -48.03 25.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.621 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.564 ' SG ' ' N ' ' A' ' 37' ' ' CYS . 38.4 t -52.23 -59.1 4.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 -179.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.565 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 13.0 p-10 -59.02 -44.95 91.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.716 -178.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -57.83 -58.58 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.658 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -52.66 -40.78 63.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.683 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.619 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.32 -47.91 71.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.624 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.669 ' O ' ' N ' ' A' ' 31' ' ' HIS . 27.5 mttp -66.02 -53.07 43.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.671 -179.204 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.4 mt -55.34 -28.68 55.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.68 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -93.49 -50.82 5.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.569 -177.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.541 ' O ' ' OH ' ' A' ' 51' ' ' TYR . 54.1 mmtt -110.11 -19.46 13.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.621 -176.141 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.669 ' N ' ' O ' ' A' ' 27' ' ' LYS . 45.2 m80 66.66 59.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.567 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.531 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -99.12 -167.16 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 179.013 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.548 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 12.5 mmt-85 -81.23 -52.64 7.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.636 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 9.9 m -126.73 -78.22 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.642 178.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.529 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 85.41 51.9 3.55 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 177.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.492 ' C ' ' SG ' ' A' ' 22' ' ' CYS . 78.3 mm-40 -72.78 163.01 28.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 110.66 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.564 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -89.53 147.72 23.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.559 -178.58 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.577 ' CD1' HD12 ' A' ' 48' ' ' ILE . 36.5 m-85 -133.3 157.54 45.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.623 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.409 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 10.4 m-85 -94.87 111.49 23.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.569 -179.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.4 ' OD2' ' CD ' ' A' ' 46' ' ' GLN . 78.6 m-20 -93.04 -161.91 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -68.17 -36.38 79.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.568 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 44' ' ' ASN . 59.5 mttp -79.02 16.97 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.543 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 44.37 18.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.523 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 42' ' ' LYS . 16.3 p-10 -97.62 113.05 24.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.435 ' HG ' ' H ' ' A' ' 45' ' ' LEU . 4.6 mt -48.38 122.95 5.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.601 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.422 HE21 ' CG1' ' A' ' 7' ' ' VAL . 4.8 mt-30 -122.22 131.1 53.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.617 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 65.0 m -78.36 123.31 26.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.557 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.577 HD12 ' CD1' ' A' ' 38' ' ' PHE . 70.6 mt -104.32 90.45 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.594 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.91 113.2 2.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.608 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.926 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 19.6 p30 -102.73 116.03 31.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.537 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.598 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 67.6 m-85 -95.33 60.08 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 177.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.598 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 8.7 m -168.04 -175.73 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 -178.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -98.8 79.08 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.631 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.9 p90 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.628 179.566 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.84 0.353 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -61.06 -34.86 75.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.615 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.612 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 33.3 m -70.28 36.84 0.04 OUTLIER 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 117.023 -1.465 . . . . 0.0 112.14 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -131.16 135.97 47.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 119.966 1.257 . . . . 0.0 110.533 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -133.88 115.8 14.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.596 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 p -76.62 137.32 22.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.528 -177.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.64 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.7 m-85 -84.64 130.84 34.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.557 178.034 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 48.2 mp0 -108.37 131.31 54.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.549 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.466 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 1.1 m-20 64.24 69.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 178.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -136.8 135.3 19.99 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.616 178.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -45.69 123.76 6.2 Favored 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 122.873 2.382 . . . . 0.0 112.168 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.513 HG23 ' N ' ' A' ' 14' ' ' SER . 33.0 m -76.9 -42.0 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.538 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.513 ' N ' HG23 ' A' ' 13' ' ' VAL . 96.0 p -50.56 -37.4 39.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.568 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -69.15 -30.76 69.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.475 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.35 -7.03 33.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.602 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.445 ' OE1' ' O ' ' A' ' 14' ' ' SER . 9.5 pt20 -64.81 -7.11 9.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.579 ' C ' ' H ' ' A' ' 20' ' ' ASN . 7.7 mt -130.58 102.28 6.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.544 178.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.493 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -46.06 -9.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.605 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 98.6 m-20 -84.29 -40.67 17.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.623 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -73.22 -45.36 56.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.603 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.601 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 30.9 t -55.06 -59.04 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.681 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.605 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.8 p-10 -58.93 -45.15 91.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.627 -178.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -59.11 -56.76 18.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.66 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -54.12 -42.11 69.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.711 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.64 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.03 -49.68 68.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.656 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.672 ' O ' ' N ' ' A' ' 31' ' ' HIS . 6.2 mtpm? -65.65 -51.36 60.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.637 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.3 mt -55.0 -28.57 53.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.667 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -93.26 -52.6 4.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.583 -177.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.505 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 35.6 mmtm -108.08 -16.43 14.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.628 -176.193 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.672 ' N ' ' O ' ' A' ' 27' ' ' LYS . 45.4 m80 66.12 52.47 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.638 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.536 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -90.81 -163.65 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.51 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.614 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 18.9 mmt180 -83.85 -53.38 5.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.568 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 30.9 m -128.33 -78.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.645 178.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.601 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.04 56.65 2.15 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 178.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -76.09 172.95 11.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 0.0 110.582 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.556 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 62.9 m -79.88 151.91 29.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.556 -178.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.652 ' CG ' HD12 ' A' ' 48' ' ' ILE . 80.2 m-85 -147.37 143.31 27.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.586 178.06 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.56 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 20.0 m-85 -90.0 110.27 21.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.559 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.41 ' CG ' ' OD1' ' A' ' 44' ' ' ASN . 43.0 p-10 -82.46 -152.66 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.626 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.2 mp0 -73.74 -40.82 63.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.504 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -70.17 3.21 2.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.596 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.4 mmm-85 58.38 36.46 25.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.6 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.41 ' OD1' ' CG ' ' A' ' 40' ' ' ASP . 9.8 p-10 -112.48 146.42 38.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.628 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.56 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 7.0 mt -70.19 111.57 5.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 38' ' ' PHE . 22.7 mt-30 -119.36 138.06 53.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.585 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.7 m -84.31 120.77 26.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.596 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.652 HD12 ' CG ' ' A' ' 38' ' ' PHE . 56.8 mt -102.82 92.48 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.574 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.18 111.66 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.585 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.885 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 16.5 p30 -98.81 125.29 44.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.522 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.643 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 58.8 m-85 -103.6 63.02 0.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.643 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.0 m -170.48 -172.86 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.571 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.406 ' N ' ' OE1' ' A' ' 53' ' ' GLU . 48.1 mp0 -95.88 79.63 3.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.576 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.0 p90 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.508 179.677 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.733 0.301 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.487 ' NZ ' ' SG ' ' A' ' 4' ' ' CYS . 16.7 pttp -66.33 -44.57 82.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.573 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.487 ' SG ' ' NZ ' ' A' ' 3' ' ' LYS . 22.4 m -99.06 -21.28 16.28 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -77.33 129.86 36.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -125.52 112.11 15.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.628 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 64.8 t -74.39 133.69 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.482 -176.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.627 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.6 m-85 -83.53 133.99 34.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.551 177.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -115.97 135.03 54.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.533 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.5 OUTLIER 67.91 59.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.605 179.143 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -131.86 151.88 79.31 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.509 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -65.53 124.12 12.39 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.749 2.299 . . . . 0.0 112.182 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.549 HG23 ' N ' ' A' ' 14' ' ' SER . 15.1 m -77.19 -43.51 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.515 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.549 ' N ' HG23 ' A' ' 13' ' ' VAL . 14.1 t -50.4 -38.95 45.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.601 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -72.43 -31.5 65.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.494 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.496 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -65.55 -7.57 15.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.621 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.436 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.7 pt20 -64.94 -8.36 15.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.503 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.2 mt -120.66 97.54 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.564 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.49 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.82 -11.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.629 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.603 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.4 m-20 -85.06 -40.47 16.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.626 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 18' ' ' LEU . 79.9 mm-40 -73.4 -44.26 58.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.636 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.601 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 20.4 t -56.42 -59.07 5.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.658 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.603 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.8 p-10 -58.3 -44.14 88.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.664 -178.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -60.48 -54.19 48.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.645 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -56.27 -41.78 76.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.783 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.627 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -53.68 -50.08 66.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.603 -179.791 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.663 ' O ' ' N ' ' A' ' 31' ' ' HIS . 46.3 mtpt -66.72 -50.34 63.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.656 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.5 mt -55.19 -28.47 53.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.645 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -94.69 -52.08 4.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.601 -178.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.5 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 60.6 mmtt -107.3 -16.84 14.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.566 -176.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.663 ' N ' ' O ' ' A' ' 27' ' ' LYS . 43.1 m80 65.61 54.0 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.596 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.558 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -93.92 -162.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.516 178.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.566 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 18.8 mmt-85 -82.65 -55.12 4.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.577 178.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.443 ' OG ' ' OD2' ' A' ' 50' ' ' ASP . 19.1 p -129.3 -78.33 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.574 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.601 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.38 56.69 2.1 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 178.51 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -74.73 174.36 9.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.319 . . . . 0.0 110.594 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.575 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 71.5 m -81.39 151.77 27.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.471 -178.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.674 ' CG ' HD12 ' A' ' 48' ' ' ILE . 76.0 m-85 -147.02 152.44 38.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.5 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.513 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 14.9 m-85 -95.54 109.76 21.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.562 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 40' ' ' ASP . 51.6 p30 -77.19 -159.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.541 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.437 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 45.4 mp0 -67.95 -40.09 83.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.583 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -75.89 6.79 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.52 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.4 mmm-85 58.68 39.96 23.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.562 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.588 ' OD1' ' C ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -110.7 139.19 46.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.517 ' N ' ' OD1' ' A' ' 44' ' ' ASN . 5.2 mt -67.32 113.03 4.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.593 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' PHE . 24.2 mt-30 -124.57 142.38 51.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.578 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.5 m -83.95 121.26 27.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.597 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.674 HD12 ' CG ' ' A' ' 38' ' ' PHE . 48.0 mt -102.38 91.81 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.563 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.93 106.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.551 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.92 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 20.6 p30 -95.09 113.61 25.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.639 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.603 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 61.2 m-85 -91.82 60.37 3.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.582 178.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.603 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.9 m -168.58 -174.32 2.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.572 -178.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -97.99 80.48 2.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.529 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.514 ' CD1' ' OD2' ' A' ' 50' ' ' ASP . 46.0 p90 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.53 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.706 ' N ' ' HZ3' ' A' ' 5' ' ' LYS . 86.5 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.822 0.344 . . . . 0.0 110.564 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -59.72 -30.29 68.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.584 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.634 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 23.6 m -68.5 40.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 117.536 -1.221 . . . . 0.0 111.856 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.706 ' HZ3' ' N ' ' A' ' 2' ' ' ASP . 43.4 mttp -136.61 138.02 40.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 119.449 1.022 . . . . 0.0 110.553 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -136.49 117.59 14.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.584 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.432 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 43.9 t -75.65 137.56 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.549 -177.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.633 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.7 m-85 -86.48 122.69 30.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.621 177.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.432 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 52.7 mp0 -103.67 135.29 45.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.557 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.488 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.26 57.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.595 179.222 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -130.63 131.12 23.11 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.56 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -45.77 123.74 6.28 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.817 2.345 . . . . 0.0 112.204 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.542 HG23 ' N ' ' A' ' 14' ' ' SER . 24.2 m -76.19 -43.1 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.538 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.542 ' N ' HG23 ' A' ' 13' ' ' VAL . 86.8 p -51.04 -37.53 45.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.516 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.452 ' HZ2' ' HG3' ' A' ' 15' ' ' LYS . 56.8 mttp -70.78 -33.03 70.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.613 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.535 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 0.3 OUTLIER -66.16 -7.65 19.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.564 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.412 ' CG ' ' O ' ' A' ' 14' ' ' SER . 14.0 pt20 -65.63 -7.36 14.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.575 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.547 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.3 mt -121.84 98.92 6.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.585 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.501 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.94 -12.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.631 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.6 m-20 -84.75 -42.83 14.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.534 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -72.45 -43.65 63.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.582 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.58 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 39.2 t -54.98 -59.64 4.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.715 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.631 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.6 p-10 -59.27 -46.71 87.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.685 -178.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -58.67 -56.51 21.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.606 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -53.02 -40.75 64.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.747 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.633 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -56.53 -49.82 73.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.667 179.728 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.666 ' O ' ' N ' ' A' ' 31' ' ' HIS . 48.0 mtmt -63.61 -52.33 61.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.624 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.3 mt -55.35 -28.97 57.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.68 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -91.15 -53.27 4.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.627 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.505 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 34.0 mmtm -110.12 -15.69 13.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 -175.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.666 ' N ' ' O ' ' A' ' 27' ' ' LYS . 44.4 m80 66.06 55.77 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.541 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -94.49 -168.18 1.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.472 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.585 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 12.0 mmt-85 -79.01 -52.87 7.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.609 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 33.6 m -129.0 -78.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.618 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.563 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.22 55.05 2.43 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -76.01 172.98 11.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.605 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.58 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 62.6 m -81.21 149.9 28.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.58 ' CG ' HD12 ' A' ' 48' ' ' ILE . 84.0 m-85 -145.54 151.1 37.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.606 178.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.427 ' CE1' HD23 ' A' ' 45' ' ' LEU . 10.7 m-85 -87.73 110.05 20.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.55 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.586 ' OD2' ' NE2' ' A' ' 46' ' ' GLN . 74.0 m-20 -80.94 -158.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.629 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -69.03 -42.4 76.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.52 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -75.55 4.04 8.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.54 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.3 mmm-85 59.25 39.24 22.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.486 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.434 HD21 ' CD ' ' A' ' 46' ' ' GLN . 15.8 p-10 -112.54 120.17 40.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.584 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.427 HD23 ' CE1' ' A' ' 39' ' ' TYR . 7.3 mt -45.65 110.74 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.636 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.586 ' NE2' ' OD2' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -121.78 140.79 51.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.55 -179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 84.4 m -82.46 122.45 28.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.622 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.58 HD12 ' CG ' ' A' ' 38' ' ' PHE . 47.8 mt -105.12 93.32 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.597 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.33 115.61 4.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.526 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.823 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 12.6 p30 -103.62 133.07 49.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.55 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.635 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 66.1 m-85 -110.48 63.63 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.616 178.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.635 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.1 m -169.18 -171.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.643 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -98.49 80.07 2.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.575 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.7 p90 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.554 179.675 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.782 0.325 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -61.67 -33.54 74.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.535 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.579 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 31.6 m -80.48 39.8 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 117.077 -1.439 . . . . 0.0 112.255 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -130.41 130.71 44.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 119.894 1.224 . . . . 0.0 110.584 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -126.15 111.97 15.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.592 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 7' ' ' VAL . 11.0 p -76.44 133.45 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.475 -177.607 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.625 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 3.0 m-85 -82.97 135.85 34.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.627 178.049 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.527 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 45.0 mp0 -114.4 132.21 56.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.61 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.485 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.7 OUTLIER 65.74 65.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 179.209 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -134.65 134.43 22.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.519 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -45.94 123.64 6.39 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.81 2.34 . . . . 0.0 112.179 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.542 HG23 ' N ' ' A' ' 14' ' ' SER . 29.2 m -77.13 -43.35 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.552 179.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.542 ' N ' HG23 ' A' ' 13' ' ' VAL . 85.0 p -50.69 -36.86 38.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.55 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -69.75 -32.19 70.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.536 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -7.57 17.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.564 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.414 ' CG ' ' O ' ' A' ' 14' ' ' SER . 11.8 pt20 -64.55 -6.13 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.7 mt -126.88 98.09 5.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.506 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.485 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.39 -11.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.59 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 97.5 m-20 -84.69 -39.51 18.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' LEU . 78.8 mm-40 -73.59 -45.7 51.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.648 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.594 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 21.5 t -55.02 -58.97 5.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.643 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.59 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 11.0 p-10 -58.95 -44.7 91.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.615 -178.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -59.31 -56.87 16.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.704 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -54.3 -41.64 69.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.709 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.625 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -54.0 -50.37 66.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.557 -179.758 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.682 ' O ' ' N ' ' A' ' 31' ' ' HIS . 15.0 mtpp -65.47 -51.38 60.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.716 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.4 mt -54.62 -28.64 48.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.653 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -93.6 -51.56 4.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.577 -177.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.494 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 57.2 mmtt -106.84 -19.76 13.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.659 -176.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.682 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.0 m80 70.79 48.52 0.41 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.603 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.566 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -88.47 -163.13 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.494 178.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.536 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 18.0 mmt180 -86.07 -53.26 5.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.574 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 39.3 m -128.1 -78.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.583 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.594 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 86.75 56.08 2.3 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -74.44 173.55 10.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.737 0.303 . . . . 0.0 110.646 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.555 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 65.4 m -81.67 151.62 27.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.586 -178.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.7 ' CG ' HD12 ' A' ' 48' ' ' ILE . 57.5 m-85 -143.0 148.57 36.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.67 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.491 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 16.6 m-85 -93.82 109.36 21.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.497 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -82.01 -161.34 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.549 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -68.58 -40.31 80.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.599 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.415 ' HZ2' ' HB3' ' A' ' 42' ' ' LYS . 15.8 mtpp -74.69 2.95 8.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.565 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.1 mmm-85 59.76 35.13 22.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.747 HD21 ' H ' ' A' ' 44' ' ' ASN . 0.1 OUTLIER -107.96 120.69 43.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.55 179.835 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.491 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 6.0 mt -51.52 113.47 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 38' ' ' PHE . 34.4 mm-40 -121.94 140.65 52.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.504 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 76.1 m -84.3 122.38 28.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.62 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.7 HD12 ' CG ' ' A' ' 38' ' ' PHE . 46.9 mt -103.96 91.75 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.6 106.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.561 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.916 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 19.0 p30 -92.65 121.36 34.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.547 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.64 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 46.7 m-85 -100.11 62.92 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.639 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.64 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 6.2 m -170.91 -172.86 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -94.58 80.36 3.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.576 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.597 179.739 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 51.1 p30 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.737 0.303 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -65.3 -27.45 68.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.557 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.661 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 18.6 m -68.08 37.17 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 117.325 -1.322 . . . . 0.0 112.168 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -132.19 136.02 46.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 119.641 1.109 . . . . 0.0 110.604 -178.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -135.94 116.08 13.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.602 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.5 p -76.39 137.78 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.542 -177.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.625 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.4 m-85 -84.8 135.51 34.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.569 178.368 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.524 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 36.0 mp0 -118.17 136.29 53.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.516 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 68.38 58.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 179.244 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -131.35 152.57 80.76 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.78 123.72 12.81 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.845 2.363 . . . . 0.0 112.166 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.55 HG23 ' N ' ' A' ' 14' ' ' SER . 34.1 m -77.62 -44.76 29.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.573 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.55 ' N ' HG23 ' A' ' 13' ' ' VAL . 22.6 m -51.0 -38.06 48.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.566 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -71.75 -30.33 65.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.591 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -60.17 -16.04 29.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.598 179.808 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.446 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.5 pt20 -63.81 -0.69 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.516 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.574 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.5 mt -127.01 89.81 3.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.527 179.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.448 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -43.73 -14.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.618 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.597 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 98.6 m-20 -85.26 -36.22 21.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.651 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 18' ' ' LEU . 85.9 mm-40 -75.62 -49.28 18.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.59 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 2.7 t -56.46 -57.68 11.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.726 -178.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.597 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 21.6 p-10 -56.11 -43.27 77.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.718 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -59.78 -47.27 86.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.678 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -63.8 -41.91 97.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.7 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.625 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -53.69 -50.58 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.638 -179.689 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.622 ' O ' ' N ' ' A' ' 31' ' ' HIS . 43.0 mtpt -65.47 -51.65 58.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.665 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.3 mt -56.09 -28.5 57.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.656 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -92.48 -54.39 3.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.604 -177.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.503 ' C ' ' CG ' ' A' ' 31' ' ' HIS . 53.2 mmtt -104.63 -20.22 13.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.574 -176.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.622 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.1 m80 73.14 48.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.642 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.554 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -87.72 -165.53 1.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.516 178.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.611 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 20.0 mmt-85 -83.95 -53.43 5.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.561 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.3 m -127.88 -75.97 0.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.66 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.736 ' O ' ' SG ' ' A' ' 47' ' ' CYS . . . 86.51 61.15 1.65 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -79.61 168.12 19.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.719 0.295 . . . . 0.0 110.629 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.578 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 73.5 m -81.02 147.76 30.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.499 -178.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.713 ' CG ' HD12 ' A' ' 48' ' ' ILE . 65.0 m-85 -139.68 148.18 42.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.667 178.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.456 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 15.8 m-85 -92.14 109.75 21.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.518 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.577 ' OD2' ' NE2' ' A' ' 46' ' ' GLN . 88.0 m-20 -85.87 -161.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.583 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -72.33 -39.62 68.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.596 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -71.07 2.34 4.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.615 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.8 mmm-85 58.86 29.7 19.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 44' ' ' ASN . 17.5 p-10 -109.2 114.97 29.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.456 HD22 ' CZ ' ' A' ' 39' ' ' TYR . 5.8 mt -46.02 116.83 1.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.577 ' NE2' ' OD2' ' A' ' 40' ' ' ASP . 2.8 mt-30 -122.01 142.12 50.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.736 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -86.72 124.76 33.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.553 179.561 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.713 HD12 ' CG ' ' A' ' 38' ' ' PHE . 63.0 mt -102.35 91.01 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.495 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.79 114.22 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.567 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.836 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 11.0 p30 -102.63 133.05 48.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.639 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 61.4 m-85 -110.82 63.07 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.581 178.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.639 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 10.0 m -169.07 -171.66 1.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.545 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -100.74 80.04 2.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.577 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.422 ' CD2' ' OD2' ' A' ' 50' ' ' ASP . 33.3 p90 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.525 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.738 0.304 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -61.89 -30.33 70.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.507 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.637 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 24.4 m -75.79 40.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 117.266 -1.35 . . . . 0.0 111.845 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -130.78 132.41 45.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 119.715 1.143 . . . . 0.0 110.561 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -128.45 112.48 14.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.622 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.431 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 41.3 t -75.11 135.97 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.523 -177.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.618 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.8 m-85 -87.63 126.33 34.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 178.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 7' ' ' VAL . 50.8 mp0 -107.73 134.34 50.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.645 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.469 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.53 59.47 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.592 179.01 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -131.76 132.63 23.43 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.505 178.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -45.94 124.23 7.01 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.816 2.344 . . . . 0.0 112.192 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.538 HG23 ' N ' ' A' ' 14' ' ' SER . 17.4 m -76.89 -43.24 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.538 ' N ' HG23 ' A' ' 13' ' ' VAL . 28.1 m -50.22 -37.46 35.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -69.18 -31.32 69.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.505 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -7.35 21.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.45 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.4 pt20 -64.37 -7.07 8.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.535 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.565 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.8 mt -126.45 98.32 5.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.494 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.94 -10.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.605 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 97.7 m-20 -84.7 -40.19 17.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 18' ' ' LEU . 76.7 mm-40 -73.56 -45.62 52.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.639 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.588 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 19.0 t -54.84 -59.36 4.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.597 -179.117 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.605 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.6 p-10 -57.86 -46.54 84.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.686 -178.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -58.91 -57.66 12.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.67 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -52.51 -40.08 62.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.706 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.618 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -55.21 -49.45 71.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.662 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.665 ' O ' ' N ' ' A' ' 31' ' ' HIS . 36.9 mtmt -65.32 -50.89 63.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.706 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.1 mt -54.82 -28.33 48.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.658 -178.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -94.09 -52.13 4.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.583 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.498 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 35.3 mmtm -109.03 -15.32 14.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.583 -175.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.665 ' N ' ' O ' ' A' ' 27' ' ' LYS . 41.5 m80 65.04 53.67 1.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.638 179.328 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.561 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -93.53 -169.22 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.542 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.581 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 17.4 mmt85 -77.32 -53.45 7.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.567 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.464 ' OG ' ' OD2' ' A' ' 50' ' ' ASP . 5.8 p -130.12 -77.8 0.54 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.588 178.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.588 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.4 54.81 2.46 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -73.4 173.79 9.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.773 0.321 . . . . 0.0 110.676 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.576 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 63.1 m -82.72 151.42 26.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.561 -178.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.682 ' CG ' HD12 ' A' ' 48' ' ' ILE . 56.5 m-85 -142.33 144.78 33.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.646 177.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.462 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 17.7 m-85 -90.96 109.64 20.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.581 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -88.22 -158.65 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.582 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -72.38 -39.63 67.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.546 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -71.75 3.92 3.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.553 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.7 mtm180 57.32 18.25 4.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.605 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.424 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 17.9 p-10 -97.78 114.87 27.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.581 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.462 HD22 ' CZ ' ' A' ' 39' ' ' TYR . 5.9 mt -46.31 118.72 2.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.569 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.575 ' NE2' ' O ' ' A' ' 8' ' ' TYR . 1.6 mt-30 -121.77 139.65 53.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.492 179.489 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 78.4 m -84.66 123.05 29.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.607 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.682 HD12 ' CG ' ' A' ' 38' ' ' PHE . 42.9 mt -103.94 91.54 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.558 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.29 107.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.556 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.857 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 17.1 p30 -96.62 127.55 42.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.522 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.641 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 62.4 m-85 -104.73 62.82 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.667 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.641 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 8.5 m -169.46 -173.2 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.563 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -98.39 79.81 2.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.647 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.0 p90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.563 179.69 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.815 0.34 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -70.81 -36.81 73.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.699 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 16.1 m -90.21 40.4 1.01 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 117.073 -1.442 . . . . 0.0 111.429 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -133.59 134.68 43.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 119.922 1.237 . . . . 0.0 110.599 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -134.07 114.07 12.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.55 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.9 t -74.28 137.15 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.514 -177.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.623 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.7 m-85 -87.52 125.14 34.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.62 177.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -106.03 135.87 46.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.59 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.472 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 66.1 58.16 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.573 179.21 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -130.41 131.44 23.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.52 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -46.02 123.97 6.84 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.83 2.353 . . . . 0.0 112.192 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.527 HG23 ' N ' ' A' ' 14' ' ' SER . 32.9 m -76.73 -42.8 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.553 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.527 ' N ' HG23 ' A' ' 13' ' ' VAL . 24.6 m -50.05 -37.97 35.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.544 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -70.77 -31.8 68.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.509 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -7.07 17.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.635 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.457 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.4 pt20 -64.8 -7.87 12.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.554 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.5 mt -123.47 98.74 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.517 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.494 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -46.01 -11.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.617 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.608 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 100.0 m-20 -84.93 -41.22 16.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -72.85 -44.3 61.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.628 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.585 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 28.1 t -55.63 -59.38 4.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.643 -179.077 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.608 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.5 p-10 -58.88 -45.82 89.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.66 -178.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -58.54 -57.58 12.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.696 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -53.5 -41.21 66.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.712 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.623 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -54.55 -50.58 67.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.725 -179.808 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.69 ' O ' ' N ' ' A' ' 31' ' ' HIS . 45.5 mtpt -64.66 -51.96 59.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.637 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.5 mt -54.72 -28.24 46.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.642 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -91.99 -52.77 4.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.552 -178.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.499 ' C ' ' CG ' ' A' ' 31' ' ' HIS . 55.6 mmtt -107.67 -19.44 13.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.605 -176.029 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.69 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.0 m80 72.51 47.59 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.619 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.574 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -87.19 -164.45 1.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.527 178.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.533 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 11.7 mmt-85 -85.88 -52.78 5.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.563 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 36.2 m -127.7 -78.52 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.67 178.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.578 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 86.25 55.77 2.42 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 178.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -73.93 173.64 9.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 0.0 110.673 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.585 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 68.7 m -81.57 152.01 27.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.509 -178.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.69 ' CG ' HD12 ' A' ' 48' ' ' ILE . 64.6 m-85 -144.32 150.03 37.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.6 177.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.478 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 16.7 m-85 -95.47 108.71 20.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.509 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -80.19 -157.68 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.573 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -69.13 -39.67 78.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.565 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -76.55 7.89 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.569 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 59.03 17.9 5.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.606 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.587 HD21 ' H ' ' A' ' 44' ' ' ASN . 0.1 OUTLIER -88.33 133.76 33.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.652 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.478 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 6.1 mt -66.13 116.6 7.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.587 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.604 ' NE2' ' O ' ' A' ' 8' ' ' TYR . 30.2 mm100 -126.33 142.97 51.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.568 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.8 m -85.44 124.21 31.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.594 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.69 HD12 ' CG ' ' A' ' 38' ' ' PHE . 51.5 mt -103.67 91.49 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.556 179.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.44 110.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.597 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.881 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 17.5 p30 -98.14 125.01 42.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.699 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 54.2 m-85 -103.23 61.04 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.636 178.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -156.92 -175.65 5.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.636 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.8 mp0 -88.28 81.9 7.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.546 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.435 ' CE2' ' OG ' ' A' ' 34' ' ' SER . 43.1 p90 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.542 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.431 ' N ' ' HZ3' ' A' ' 5' ' ' LYS . 89.2 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.825 0.345 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -60.57 -33.81 73.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.552 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.617 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 27.6 m -75.55 40.7 0.18 Allowed 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 117.247 -1.359 . . . . 0.0 112.11 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.431 ' HZ3' ' N ' ' A' ' 2' ' ' ASP . 35.8 mmtm -130.08 130.29 44.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 119.776 1.171 . . . . 0.0 110.55 -178.261 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -126.27 112.42 15.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.64 177.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.507 ' CG1' ' NE2' ' A' ' 46' ' ' GLN . 45.4 t -75.69 136.45 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.491 -177.243 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.611 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.9 m-85 -87.81 125.48 34.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.619 178.152 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 7' ' ' VAL . 50.9 mp0 -106.83 135.1 48.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.607 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.472 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.7 OUTLIER 66.35 59.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.559 179.225 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -131.58 132.65 23.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.571 178.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -45.97 123.88 6.68 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.858 2.372 . . . . 0.0 112.116 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.55 HG23 ' N ' ' A' ' 14' ' ' SER . 22.7 m -76.39 -43.52 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.606 179.328 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.55 ' N ' HG23 ' A' ' 13' ' ' VAL . 22.9 t -49.74 -37.73 30.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.58 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -68.71 -31.16 70.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.53 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -7.22 22.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.446 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.2 pt20 -64.82 -7.1 9.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.524 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.5 mt -127.15 98.96 5.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.522 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.483 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.71 -11.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.606 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.607 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.8 m-20 -83.75 -40.08 19.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.582 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 18' ' ' LEU . 80.6 mm-40 -74.03 -45.12 51.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.557 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.583 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 34.7 t -54.33 -58.95 5.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.692 -179.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.607 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 11.0 p-10 -59.42 -47.42 85.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.681 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -56.71 -58.67 7.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.665 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -52.49 -40.4 62.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.731 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.611 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.92 -49.3 71.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.654 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.711 ' O ' ' N ' ' A' ' 31' ' ' HIS . 27.9 mttp -63.74 -54.04 41.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.713 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.1 mt -54.66 -28.83 50.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.719 -177.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -90.41 -49.26 6.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.61 -177.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.495 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 63.7 mmtt -114.11 -20.4 10.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.644 -175.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.711 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.2 m80 71.55 57.45 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.624 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.611 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -97.21 -167.81 1.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.503 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.536 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 12.2 mmm180 -83.35 -51.45 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.614 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.455 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 28.4 m -126.66 -78.39 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.586 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.583 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 86.82 53.84 2.77 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.003 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -75.06 171.54 13.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 110.673 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 68.0 m -81.95 151.61 27.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.538 -178.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.735 ' CG ' HD12 ' A' ' 48' ' ' ILE . 48.1 m-85 -141.19 147.53 38.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.549 177.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.475 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 18.2 m-85 -96.06 108.78 21.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.52 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.431 ' OD2' ' NE2' ' A' ' 46' ' ' GLN . 75.5 m-20 -85.53 -160.02 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 179.209 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -69.16 -39.48 78.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.62 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -71.98 4.38 3.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.631 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 58.67 18.23 5.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.575 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -94.18 130.35 40.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.59 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.475 HD22 ' CZ ' ' A' ' 39' ' ' TYR . 4.7 mt -61.99 117.88 6.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.613 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.507 ' NE2' ' CG1' ' A' ' 7' ' ' VAL . 20.3 mt-30 -122.03 138.3 54.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.634 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 69.5 m -83.43 122.43 28.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.735 HD12 ' CG ' ' A' ' 38' ' ' PHE . 41.2 mt -103.24 92.41 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.0 104.23 0.35 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.569 179.218 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.899 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 21.0 p30 -90.56 119.89 31.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.484 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.625 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 43.9 m-85 -97.67 63.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.625 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 6.0 m -170.13 -174.82 1.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.632 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mp0 -82.21 80.02 8.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.603 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.559 179.392 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.84 0.352 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -72.16 -15.66 61.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.627 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.622 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 32.5 m -74.96 42.95 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 117.032 -1.461 . . . . 0.0 112.054 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.488 ' NZ ' ' CB ' ' A' ' 5' ' ' LYS . 4.9 mtpm? -137.73 137.38 38.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 119.914 1.234 . . . . 0.0 110.589 -178.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.473 ' HB2' ' HZ2' ' A' ' 6' ' ' LYS . 6.9 mtpm? -133.72 116.92 16.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.593 178.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.3 t -74.48 137.22 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.545 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.629 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.8 m-85 -87.17 124.11 32.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.566 177.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -105.98 135.27 47.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.481 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.32 57.7 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.593 179.135 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -130.87 135.69 27.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.522 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -45.71 124.29 6.76 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.784 2.323 . . . . 0.0 112.192 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.457 HG22 ' OD1' ' A' ' 44' ' ' ASN . 11.4 t -76.8 -46.5 30.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.562 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.437 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 22.8 t -49.72 -37.03 27.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.578 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -66.22 -31.13 71.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.569 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -10.88 34.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.585 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.437 ' OE1' ' O ' ' A' ' 14' ' ' SER . 9.1 pt20 -64.55 -3.34 3.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.548 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.562 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.8 mt -129.67 96.28 4.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.487 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.501 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.77 -11.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.561 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.617 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.6 m-20 -84.24 -41.44 16.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.561 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -72.91 -44.1 61.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.56 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.566 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 35.3 t -54.91 -59.26 4.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.702 -179.245 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.617 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 12.4 p-10 -59.75 -44.12 93.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.638 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -59.75 -57.41 13.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.669 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -53.57 -42.18 67.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.678 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.629 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -53.49 -49.76 66.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.753 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.668 ' O ' ' N ' ' A' ' 31' ' ' HIS . 46.7 mtpt -66.12 -50.29 64.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.687 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.9 mt -54.89 -28.02 47.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.613 -178.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -94.62 -52.0 4.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.622 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.512 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 55.1 mmtt -107.62 -17.02 14.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.618 -176.308 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.668 ' N ' ' O ' ' A' ' 27' ' ' LYS . 44.5 m80 66.28 50.59 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.593 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.528 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -88.61 -163.7 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.524 178.361 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.576 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 30.6 mmt-85 -83.86 -53.15 5.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.62 178.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 36.9 m -128.84 -78.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.559 178.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.566 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.1 55.78 2.31 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -75.96 173.9 10.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 110.667 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.539 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 85.3 m -81.74 149.92 28.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.557 -178.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.539 ' CG ' HD12 ' A' ' 48' ' ' ILE . 88.1 m-85 -146.25 146.38 30.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.561 177.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.505 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 13.2 m-85 -89.78 111.33 22.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.584 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.402 ' HB2' HE21 ' A' ' 46' ' ' GLN . 82.4 m-20 -90.82 -160.23 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.624 179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -82.73 11.04 6.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.59 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -111.51 3.75 18.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 56.05 17.15 2.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.564 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.602 ' OD1' ' C ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -114.0 120.7 41.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.643 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.505 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 9.4 mt -47.66 122.75 5.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.537 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 44' ' ' ASN . 17.5 mt-30 -125.17 141.17 52.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.53 179.121 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.0 m -85.33 123.8 31.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.644 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.539 HD12 ' CG ' ' A' ' 38' ' ' PHE . 49.7 mt -106.51 93.59 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.678 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.67 111.72 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.558 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.893 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 17.2 p30 -97.73 124.91 42.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.612 179.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.648 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 48.2 m-85 -103.38 62.62 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.63 179.054 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.648 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.9 m -169.93 -173.6 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.638 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -95.45 79.75 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.513 179.645 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.826 0.346 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -59.82 -43.2 94.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.593 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.57 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 37.2 m -128.16 39.44 3.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 117.009 -1.472 . . . . 0.0 111.867 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -132.15 138.71 48.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 119.908 1.231 . . . . 0.0 110.599 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -135.52 115.93 13.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.574 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.43 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 22.9 t -75.93 138.16 21.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.51 -177.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.627 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.8 m-85 -87.19 126.29 34.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.584 177.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.434 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 52.6 mp0 -103.7 131.68 50.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.595 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 61.84 73.57 0.47 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.589 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -139.12 144.14 39.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.494 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -46.16 123.4 6.39 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.877 2.385 . . . . 0.0 112.248 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.617 HG13 ' N ' ' A' ' 14' ' ' SER . 7.4 p -78.94 -48.88 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.51 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.617 ' N ' HG13 ' A' ' 13' ' ' VAL . 90.1 p -50.32 -35.29 26.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.516 -178.483 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.6 mmtm -67.76 -30.76 70.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.447 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -15.01 61.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.572 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.411 ' CG ' ' O ' ' A' ' 14' ' ' SER . 11.9 pt20 -64.75 -1.89 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.533 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.585 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.9 mt -131.95 96.54 3.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.538 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.447 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.04 -12.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.627 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.614 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 98.6 m-20 -82.06 -39.88 22.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.604 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' LEU . 92.1 mm-40 -74.54 -46.6 37.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.624 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.592 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 43.3 t -52.54 -59.44 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.64 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.614 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 14.5 p-10 -59.67 -46.74 88.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.747 -178.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -56.95 -59.06 5.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.714 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -52.61 -41.9 64.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.683 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.627 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.72 -48.85 71.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.637 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.685 ' O ' ' N ' ' A' ' 31' ' ' HIS . 30.5 mttp -64.93 -52.91 53.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.597 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.7 mt -54.67 -28.98 51.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.615 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -92.35 -50.22 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.629 -177.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.507 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 58.2 mmtt -112.23 -18.37 12.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.617 -176.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.685 ' N ' ' O ' ' A' ' 27' ' ' LYS . 44.5 m80 66.6 60.11 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.602 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.562 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -96.98 -166.65 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.526 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.566 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 13.1 mmt85 -84.16 -49.8 8.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.619 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 38.0 m -127.16 -79.06 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.592 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.87 55.23 2.31 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -78.61 171.98 14.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.658 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 83.0 m -82.45 150.87 26.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.546 -178.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.662 ' CG ' HD12 ' A' ' 48' ' ' ILE . 62.3 m-85 -142.32 146.82 35.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.632 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.517 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 14.8 m-85 -92.71 109.69 21.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.539 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.579 ' OD2' ' NE2' ' A' ' 46' ' ' GLN . 69.6 m-20 -85.71 -150.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.58 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.664 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 1.9 pm0 -80.13 -40.94 26.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.594 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -70.93 3.14 3.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.605 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 mmm-85 57.04 32.24 21.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.555 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.405 ' O ' ' CG ' ' A' ' 44' ' ' ASN . 17.2 p-10 -110.21 116.79 32.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.58 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.517 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 10.3 mt -46.14 114.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.518 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.579 ' NE2' ' OD2' ' A' ' 40' ' ' ASP . 2.6 mt-30 -119.16 139.01 52.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 65.3 m -83.57 123.57 29.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.685 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.662 HD12 ' CG ' ' A' ' 38' ' ' PHE . 37.9 mt -105.97 94.38 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.56 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.7 111.33 2.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.583 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.863 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 17.5 p30 -98.45 127.63 44.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.509 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.65 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 58.8 m-85 -105.62 62.99 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.559 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.65 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.4 m -170.45 -172.63 1.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.552 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -93.22 79.88 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.615 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.542 179.692 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.783 0.325 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -58.63 -34.34 71.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.554 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 35.2 m -80.95 39.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 117.103 -1.427 . . . . 0.0 112.446 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -129.59 131.22 46.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 119.824 1.193 . . . . 0.0 110.568 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -126.17 112.07 15.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.609 177.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.0 t -75.65 135.9 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.481 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.627 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 3.0 m-85 -86.38 135.47 33.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.598 177.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -119.02 135.46 54.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.6 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.523 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.72 60.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.604 179.432 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -132.04 153.23 81.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.51 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.88 123.87 13.43 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.774 2.316 . . . . 0.0 112.26 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.585 HG13 ' N ' ' A' ' 14' ' ' SER . 9.9 p -76.49 -46.19 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.533 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.585 ' N ' HG13 ' A' ' 13' ' ' VAL . 24.6 m -51.44 -35.69 40.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.534 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.0 mmtm -66.22 -32.73 74.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.515 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -10.58 28.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.539 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' A' ' 14' ' ' SER . 9.6 pt20 -64.01 -4.46 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.577 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.593 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.9 mt -130.99 96.59 4.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.62 179.041 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.47 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.26 -12.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.588 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.6 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 95.2 m-20 -83.05 -38.86 21.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 18' ' ' LEU . 91.2 mm-40 -74.31 -46.84 38.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.594 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.583 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 34.2 t -53.68 -58.68 6.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.709 -179.101 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.6 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 12.4 p-10 -59.53 -44.66 93.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.624 -178.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -59.56 -56.47 21.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.688 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.74 -42.55 68.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.718 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.627 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.14 -50.41 67.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.655 -179.816 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.66 ' O ' ' N ' ' A' ' 31' ' ' HIS . 25.1 mtmt -66.21 -49.59 66.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.697 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.8 mt -54.93 -29.11 55.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.616 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -96.4 -50.1 4.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.586 -177.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.505 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 56.6 mmtt -107.05 -16.82 14.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.584 -176.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.66 ' N ' ' O ' ' A' ' 27' ' ' LYS . 38.9 m80 63.83 49.82 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.613 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.507 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -88.68 -163.47 0.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.546 178.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.573 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 18.1 mmm180 -82.64 -54.22 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.553 179.189 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 33.4 m -128.78 -78.3 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.603 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.583 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 88.03 56.43 2.07 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 178.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -76.47 174.3 10.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.575 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.524 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 71.1 m -82.76 150.34 26.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.543 -178.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.585 ' CG ' HD12 ' A' ' 48' ' ' ILE . 83.4 m-85 -145.43 141.45 28.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.601 177.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.498 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 14.0 m-85 -85.46 120.08 26.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 -178.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.452 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 54.3 p-10 -97.46 -151.26 0.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.611 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.43 ' OE1' ' N ' ' A' ' 41' ' ' GLU . 52.6 mp0 -79.4 -39.74 31.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -70.15 3.39 2.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.599 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 56.31 30.12 16.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.528 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.472 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 12.9 p-10 -113.04 120.21 40.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 179.531 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.498 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 10.9 mt -46.46 117.08 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.563 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 38' ' ' PHE . 9.5 mt-30 -118.04 140.06 50.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.594 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 66.9 m -86.16 123.1 31.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.568 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.585 HD12 ' CG ' ' A' ' 38' ' ' PHE . 46.6 mt -107.32 93.87 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.35 104.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.523 179.207 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.897 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 21.7 p30 -88.43 113.96 24.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.592 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.653 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 32.9 m-85 -92.97 62.31 3.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.631 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.653 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 5.1 m -172.16 -174.51 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.558 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -89.84 80.18 6.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.587 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.575 179.763 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.617 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 34.6 m . . . . . 0 CA--C 1.516 -0.339 0 CA-C-O 117.095 -1.431 . . . . 0.0 112.18 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -130.8 137.63 49.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 119.86 1.209 . . . . 0.0 110.593 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -135.11 116.38 14.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.55 178.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.9 t -76.59 137.08 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.495 -177.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.633 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.7 m-85 -85.95 125.85 33.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.587 177.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -107.35 135.33 49.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.462 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.7 OUTLIER 66.03 59.56 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.626 179.171 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -131.33 133.59 24.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.551 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -46.37 124.0 7.34 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.846 2.364 . . . . 0.0 112.176 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.523 HG23 ' N ' ' A' ' 14' ' ' SER . 28.1 m -76.56 -42.24 34.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.531 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.523 ' N ' HG23 ' A' ' 13' ' ' VAL . 33.4 t -50.58 -38.28 44.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.548 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -68.39 -31.0 70.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.536 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -7.05 27.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.449 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.1 pt20 -64.35 -6.25 6.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.492 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.7 mt -128.88 99.67 5.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.591 178.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.478 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.58 -11.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.581 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.603 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.6 m-20 -84.57 -40.27 17.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.558 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 18' ' ' LEU . 80.4 mm-40 -73.21 -44.55 59.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.625 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.605 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 19.5 t -55.8 -58.89 5.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.694 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.603 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.4 p-10 -59.19 -43.73 92.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.678 -178.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -60.49 -54.8 41.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.709 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -56.25 -41.8 76.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.686 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.633 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -53.78 -49.78 67.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.625 -179.71 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.667 ' O ' ' N ' ' A' ' 31' ' ' HIS . 45.2 mtpt -66.61 -50.65 62.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.653 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.2 mt -54.84 -27.64 43.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.632 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -94.93 -52.36 4.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.596 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.509 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 35.1 mmtm -107.32 -17.22 14.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.6 -176.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.667 ' N ' ' O ' ' A' ' 27' ' ' LYS . 42.0 m-70 66.67 54.42 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.569 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.585 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -92.97 -162.95 0.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.487 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.6 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 19.7 mmt-85 -84.45 -52.82 5.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.572 178.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 28.4 m -129.09 -78.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.591 178.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.605 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 86.34 56.03 2.36 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -75.08 173.68 10.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.327 . . . . 0.0 110.666 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.558 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 62.8 m -81.3 151.99 27.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.578 -178.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.703 ' CG ' HD12 ' A' ' 48' ' ' ILE . 57.4 m-85 -143.12 144.13 32.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.612 177.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.488 ' CE2' ' CD2' ' A' ' 45' ' ' LEU . 21.3 m-85 -92.57 109.95 21.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.553 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.427 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 49.9 p-10 -87.2 -155.14 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.631 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.5 mp0 -73.13 -38.69 66.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.605 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -72.19 3.81 4.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.609 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 58.9 17.45 5.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.58 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.703 HD21 HE21 ' A' ' 46' ' ' GLN . 8.8 p-10 -95.16 131.64 40.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.562 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.488 ' CD2' ' CE2' ' A' ' 39' ' ' TYR . 7.7 mt -60.5 117.37 5.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.56 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.703 HE21 HD21 ' A' ' 44' ' ' ASN . 95.5 mt-30 -120.96 137.04 54.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.528 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.3 m -84.49 120.8 26.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.703 HD12 ' CG ' ' A' ' 38' ' ' PHE . 50.1 mt -102.66 92.56 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.49 112.3 2.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.57 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.898 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 16.5 p30 -99.49 124.69 44.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.523 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.643 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 59.4 m-85 -103.23 62.62 0.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.579 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.643 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.2 m -170.58 -173.04 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.605 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -98.38 79.57 2.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.57 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.61 179.659 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.0 m . . . . . 0 CA--C 1.533 0.32 0 CA-C-O 120.711 0.291 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -85.25 132.92 34.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.607 -176.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -131.91 119.18 20.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.561 177.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.413 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 59.8 t -76.17 137.14 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.509 -177.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.641 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.4 m-85 -85.46 128.06 34.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.628 177.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.507 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 55.9 mp0 -107.29 132.56 52.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.615 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.483 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.7 OUTLIER 64.84 67.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.561 178.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -136.3 135.39 20.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.583 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -46.11 123.72 6.68 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.797 2.331 . . . . 0.0 112.169 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.559 HG23 ' N ' ' A' ' 14' ' ' SER . 24.8 m -77.5 -44.03 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.587 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.559 ' N ' HG23 ' A' ' 13' ' ' VAL . 24.3 t -50.34 -37.92 39.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.541 -179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -69.19 -32.02 71.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.536 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.7 OUTLIER -70.12 -5.42 26.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.581 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.456 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.7 pt20 -62.66 -8.43 6.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.531 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.8 mt -126.66 102.96 7.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.576 178.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.485 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.16 -13.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.588 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.573 ' N ' ' O ' ' A' ' 18' ' ' LEU . 96.1 m-20 -83.77 -36.91 23.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.564 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 18' ' ' LEU . 83.5 mm-40 -74.16 -47.36 36.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.573 ' SG ' ' N ' ' A' ' 37' ' ' CYS . 35.0 t -53.02 -58.78 5.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.697 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.567 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.7 p-10 -59.16 -44.84 92.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.691 -178.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -58.75 -55.53 33.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.637 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -55.07 -41.38 71.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.71 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.641 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -55.32 -50.15 70.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.649 -179.818 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.623 ' O ' ' N ' ' A' ' 31' ' ' HIS . 5.1 mtpm? -64.44 -53.52 46.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.645 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.6 mt -56.23 -27.88 56.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.666 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -90.16 -56.22 3.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.633 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.521 ' C ' ' CG ' ' A' ' 31' ' ' HIS . 52.6 mmtt -105.27 -20.23 13.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.615 -176.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.623 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.3 m80 74.21 51.08 0.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.573 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.55 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -91.64 -165.92 1.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.55 178.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.589 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 14.1 mmt180 -81.96 -54.04 5.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.618 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 58.4 m -128.67 -77.38 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.629 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.51 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 85.64 54.87 2.68 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 177.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.491 ' C ' ' SG ' ' A' ' 22' ' ' CYS . 77.7 mm-40 -71.85 163.79 27.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.349 . . . . 0.0 110.588 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.573 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -89.59 148.56 23.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.585 -178.483 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.556 ' CD1' HD12 ' A' ' 48' ' ' ILE . 49.6 m-85 -134.39 157.52 46.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.657 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.448 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 11.1 m-85 -95.33 112.01 23.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.572 -179.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -92.63 -159.97 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.527 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 47.8 mp0 -71.1 -39.73 71.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.583 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -71.83 3.85 3.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.558 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 57.7 16.96 3.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.544 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.701 HD21 ' NE2' ' A' ' 46' ' ' GLN . 17.9 p-10 -99.21 113.6 25.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.58 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.448 HD22 ' CZ ' ' A' ' 39' ' ' TYR . 3.4 mt -47.85 124.4 7.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.574 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.701 ' NE2' HD21 ' A' ' 44' ' ' ASN . 17.2 mt-30 -123.7 130.78 53.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.574 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.413 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 67.5 m -78.33 120.93 23.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.576 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.556 HD12 ' CD1' ' A' ' 38' ' ' PHE . 68.9 mt -101.63 89.68 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.531 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.34 117.77 5.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.542 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.967 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 18.4 p30 -105.91 115.79 30.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.572 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.6 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 61.0 m-85 -95.93 60.6 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.581 178.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.6 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.4 m -168.55 -174.87 2.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.588 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -100.09 79.27 2.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.53 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 43.9 p90 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.621 179.424 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.632 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 28.8 m . . . . . 0 CA--C 1.518 -0.283 0 CA-C-O 117.172 -1.394 . . . . 0.0 111.908 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -130.9 138.49 49.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 119.708 1.14 . . . . 0.0 110.607 -178.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.448 ' HB2' ' HZ2' ' A' ' 6' ' ' LYS . 6.8 mtpm? -135.23 115.15 13.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.683 178.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.432 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 61.0 t -75.28 137.97 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.556 -177.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.602 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 3.0 m-85 -86.41 132.13 34.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.545 177.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 54.4 mp0 -114.87 133.46 55.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 179.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.524 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.14 64.07 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.529 179.058 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -133.91 152.96 79.57 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.508 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.84 123.61 13.31 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.813 2.342 . . . . 0.0 112.153 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.6 t -78.3 -48.83 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.589 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.454 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 20.4 m -50.03 -36.33 28.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 -178.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -70.53 -30.33 67.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.513 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.5 OUTLIER -69.34 -6.5 30.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.55 179.678 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.454 ' OE1' ' O ' ' A' ' 14' ' ' SER . 11.1 pt20 -62.5 -7.9 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.512 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.572 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.8 mt -125.49 101.72 7.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.529 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.468 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.23 -13.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.608 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.59 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 97.2 m-20 -83.04 -37.43 23.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.602 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 18' ' ' LEU . 93.1 mm-40 -74.38 -47.04 36.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.55 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.565 ' SG ' ' N ' ' A' ' 37' ' ' CYS . 36.7 t -52.76 -59.1 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.676 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.59 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 15.1 p-10 -59.27 -46.82 87.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.652 -178.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -55.5 -59.44 4.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.686 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -52.7 -39.99 62.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.648 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.602 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.73 -49.14 71.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.634 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.688 ' O ' ' N ' ' A' ' 31' ' ' HIS . 24.4 mttp -63.98 -54.53 32.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.645 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 72.0 mt -54.73 -28.43 48.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.632 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -91.74 -51.0 5.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.614 -177.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.495 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 54.9 mmtt -110.32 -21.16 12.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 -176.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.688 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.2 m80 72.26 52.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.62 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.535 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -93.37 -170.44 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.482 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.562 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 9.9 mmt85 -81.06 -52.46 7.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.589 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 37.5 m -125.46 -77.69 0.59 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.65 178.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.517 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 84.02 51.94 3.81 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.485 ' C ' ' SG ' ' A' ' 22' ' ' CYS . 77.9 mm-40 -72.84 163.33 28.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 110.589 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.565 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -87.14 146.4 26.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.549 -178.826 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.527 ' CD1' HD12 ' A' ' 48' ' ' ILE . 32.6 m-85 -131.22 157.54 42.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.543 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 6.8 m-85 -93.78 114.58 26.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.551 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.445 ' OD2' ' OE1' ' A' ' 46' ' ' GLN . 85.3 m-20 -94.73 -162.29 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.601 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -70.77 -40.03 72.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.654 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -70.98 2.7 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 57.94 28.59 16.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.561 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.701 HD21 ' NE2' ' A' ' 46' ' ' GLN . 17.7 p-10 -110.29 113.91 26.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.442 ' C ' ' SG ' ' A' ' 37' ' ' CYS . 12.3 mt -46.58 120.87 3.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.556 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.701 ' NE2' HD21 ' A' ' 44' ' ' ASN . 6.8 mt-30 -122.17 133.5 54.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 68.5 m -79.38 124.56 28.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.628 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.527 HD12 ' CD1' ' A' ' 38' ' ' PHE . 66.2 mt -106.16 90.47 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.32 115.99 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.5 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.843 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 12.8 p30 -103.93 131.29 51.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.619 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 61.5 m-85 -109.92 63.33 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.621 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.619 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.5 m -169.06 -172.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.593 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.7 mp0 -98.75 79.31 2.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.574 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.586 179.623 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.8 m . . . . . 0 CA--C 1.534 0.342 0 CA-C-O 121.01 0.434 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -81.99 135.31 35.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.578 -176.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.484 ' HB2' ' HZ2' ' A' ' 6' ' ' LYS . 7.0 mtpm? -133.09 115.91 15.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 177.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.4 t -73.16 136.99 24.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 -176.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.619 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.6 m-85 -85.9 132.61 34.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.551 177.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.52 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 57.2 mp0 -114.72 133.87 55.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.592 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.531 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.44 64.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.532 178.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -134.61 152.25 77.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.565 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -64.02 124.45 13.54 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.837 2.358 . . . . 0.0 112.176 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.563 HG23 ' N ' ' A' ' 14' ' ' SER . 34.2 m -77.59 -45.21 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.591 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.563 ' N ' HG23 ' A' ' 13' ' ' VAL . 15.6 m -50.5 -37.67 40.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.592 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -71.73 -31.19 66.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.525 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.5 OUTLIER -69.25 -5.61 24.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.538 179.657 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.415 ' CG ' ' O ' ' A' ' 14' ' ' SER . 15.8 pt20 -62.81 -9.17 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.506 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.563 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.8 mt -123.73 102.67 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.496 179.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.448 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.52 -13.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.565 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.4 m-20 -83.81 -36.12 23.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.596 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 18' ' ' LEU . 89.2 mm-40 -75.08 -48.03 25.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.621 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.564 ' SG ' ' N ' ' A' ' 37' ' ' CYS . 38.4 t -52.23 -59.1 4.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 -179.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.565 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 13.0 p-10 -59.02 -44.95 91.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.716 -178.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -57.83 -58.58 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.658 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -52.66 -40.78 63.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.683 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.619 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.32 -47.91 71.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.624 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.669 ' O ' ' N ' ' A' ' 31' ' ' HIS . 27.5 mttp -66.02 -53.07 43.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.671 -179.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.4 mt -55.34 -28.68 55.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.68 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -93.49 -50.82 5.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.569 -177.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.541 ' O ' ' OH ' ' A' ' 51' ' ' TYR . 54.1 mmtt -110.11 -19.46 13.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.621 -176.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.669 ' N ' ' O ' ' A' ' 27' ' ' LYS . 42.3 m-70 66.66 59.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.567 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.531 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -99.12 -167.16 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 179.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.548 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 12.5 mmt-85 -81.23 -52.64 7.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.636 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 9.9 m -126.73 -78.22 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.642 178.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.529 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 85.41 51.9 3.55 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 177.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.492 ' C ' ' SG ' ' A' ' 22' ' ' CYS . 78.3 mm-40 -72.78 163.01 28.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 110.66 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.564 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -89.53 147.72 23.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.559 -178.58 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.577 ' CD1' HD12 ' A' ' 48' ' ' ILE . 36.5 m-85 -133.3 157.54 45.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.623 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.409 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 10.4 m-85 -94.87 111.49 23.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.569 -179.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.4 ' OD2' ' CD ' ' A' ' 46' ' ' GLN . 78.6 m-20 -93.04 -161.91 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -68.17 -36.38 79.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.568 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 44' ' ' ASN . 59.5 mttp -79.02 16.97 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.543 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 44.37 18.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.523 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.639 HD21 ' NE2' ' A' ' 46' ' ' GLN . 16.3 p-10 -97.62 113.05 24.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.435 ' HG ' ' H ' ' A' ' 45' ' ' LEU . 4.6 mt -48.38 122.95 5.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.601 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.639 ' NE2' HD21 ' A' ' 44' ' ' ASN . 17.4 mt-30 -122.22 131.1 53.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.617 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 65.0 m -78.36 123.31 26.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.557 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.577 HD12 ' CD1' ' A' ' 38' ' ' PHE . 70.6 mt -104.32 90.45 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.594 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.91 113.2 2.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.608 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.926 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 19.6 p30 -102.73 116.03 31.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.537 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.598 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 67.6 m-85 -95.33 60.08 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 177.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.598 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 8.7 m -168.04 -175.73 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 -178.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -98.8 79.08 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.631 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.9 p90 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.628 179.566 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.612 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 33.3 m . . . . . 0 CA--C 1.517 -0.292 0 CA-C-O 117.023 -1.465 . . . . 0.0 112.14 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -131.16 135.97 47.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 119.966 1.257 . . . . 0.0 110.533 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -133.88 115.8 14.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.596 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 p -76.62 137.32 22.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.528 -177.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.64 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.7 m-85 -84.64 130.84 34.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.557 178.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 48.2 mp0 -108.37 131.31 54.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.549 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.466 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 1.1 m-20 64.24 69.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 178.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -136.8 135.3 19.99 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.616 178.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -45.69 123.76 6.2 Favored 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 122.873 2.382 . . . . 0.0 112.168 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.513 HG23 ' N ' ' A' ' 14' ' ' SER . 33.0 m -76.9 -42.0 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.538 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.513 ' N ' HG23 ' A' ' 13' ' ' VAL . 96.0 p -50.56 -37.4 39.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.568 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -69.15 -30.76 69.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.475 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.35 -7.03 33.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.602 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.445 ' OE1' ' O ' ' A' ' 14' ' ' SER . 9.5 pt20 -64.81 -7.11 9.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.579 ' C ' ' H ' ' A' ' 20' ' ' ASN . 7.7 mt -130.58 102.28 6.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.544 178.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.493 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -46.06 -9.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.605 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 98.6 m-20 -84.29 -40.67 17.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.623 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -73.22 -45.36 56.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.603 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.601 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 30.9 t -55.06 -59.04 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.681 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.605 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.8 p-10 -58.93 -45.15 91.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.627 -178.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -59.11 -56.76 18.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.66 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -54.12 -42.11 69.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.711 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.64 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.03 -49.68 68.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.656 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.672 ' O ' ' N ' ' A' ' 31' ' ' HIS . 6.2 mtpm? -65.65 -51.36 60.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.637 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.3 mt -55.0 -28.57 53.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.667 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -93.26 -52.6 4.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.583 -177.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.505 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 35.6 mmtm -108.08 -16.43 14.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.628 -176.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.672 ' N ' ' O ' ' A' ' 27' ' ' LYS . 42.0 m-70 66.12 52.47 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.638 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.536 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -90.81 -163.65 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.51 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.614 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 18.9 mmt180 -83.85 -53.38 5.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.568 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 30.9 m -128.33 -78.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.645 178.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.601 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.04 56.65 2.15 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 178.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -76.09 172.95 11.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 0.0 110.582 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.556 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 62.9 m -79.88 151.91 29.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.556 -178.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.652 ' CG ' HD12 ' A' ' 48' ' ' ILE . 80.2 m-85 -147.37 143.31 27.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.586 178.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.56 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 20.0 m-85 -90.0 110.27 21.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.559 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.531 ' OD2' ' NE2' ' A' ' 46' ' ' GLN . 43.0 p-10 -82.46 -152.66 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.626 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.2 mp0 -73.74 -40.82 63.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.504 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -70.17 3.21 2.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.596 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.4 mmm-85 58.38 36.46 25.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.6 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.787 HD21 HE21 ' A' ' 46' ' ' GLN . 9.8 p-10 -112.48 146.42 38.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.628 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.56 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 7.0 mt -70.19 111.57 5.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.787 HE21 HD21 ' A' ' 44' ' ' ASN . 85.3 mt-30 -119.36 138.06 53.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.585 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.7 m -84.31 120.77 26.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.596 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.652 HD12 ' CG ' ' A' ' 38' ' ' PHE . 56.8 mt -102.82 92.48 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.574 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.18 111.66 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.585 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.885 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 16.5 p30 -98.81 125.29 44.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.522 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.643 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 58.8 m-85 -103.6 63.02 0.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.643 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.0 m -170.48 -172.86 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.571 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.406 ' N ' ' OE1' ' A' ' 53' ' ' GLU . 48.1 mp0 -95.88 79.63 3.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.576 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.0 p90 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.508 179.677 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.4 m . . . . . 0 CA--C 1.536 0.432 0 CA-C-O 120.703 0.287 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -77.33 129.86 36.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -125.52 112.11 15.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.628 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 64.8 t -74.39 133.69 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.482 -176.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.627 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.6 m-85 -83.53 133.99 34.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.551 177.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -115.97 135.03 54.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.533 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.5 OUTLIER 67.91 59.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.605 179.143 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -131.86 151.88 79.31 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.509 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -65.53 124.12 12.39 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.749 2.299 . . . . 0.0 112.182 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.549 HG23 ' N ' ' A' ' 14' ' ' SER . 15.1 m -77.19 -43.51 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.515 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.549 ' N ' HG23 ' A' ' 13' ' ' VAL . 14.1 t -50.4 -38.95 45.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.601 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -72.43 -31.5 65.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.494 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.496 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -65.55 -7.57 15.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.621 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.436 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.7 pt20 -64.94 -8.36 15.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.503 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.2 mt -120.66 97.54 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.564 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.49 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.82 -11.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.629 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.603 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.4 m-20 -85.06 -40.47 16.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.626 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 18' ' ' LEU . 79.9 mm-40 -73.4 -44.26 58.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.636 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.601 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 20.4 t -56.42 -59.07 5.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.658 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.603 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.8 p-10 -58.3 -44.14 88.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.664 -178.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -60.48 -54.19 48.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.645 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -56.27 -41.78 76.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.783 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.627 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -53.68 -50.08 66.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.603 -179.791 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.663 ' O ' ' N ' ' A' ' 31' ' ' HIS . 46.3 mtpt -66.72 -50.34 63.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.656 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.5 mt -55.19 -28.47 53.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.645 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -94.69 -52.08 4.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.601 -178.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.5 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 60.6 mmtt -107.3 -16.84 14.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.566 -176.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.663 ' N ' ' O ' ' A' ' 27' ' ' LYS . 40.7 m-70 65.61 54.0 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.596 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.558 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -93.92 -162.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.516 178.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.566 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 18.8 mmt-85 -82.65 -55.12 4.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.577 178.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.443 ' OG ' ' OD2' ' A' ' 50' ' ' ASP . 19.1 p -129.3 -78.33 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.574 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.601 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.38 56.69 2.1 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 178.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -74.73 174.36 9.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.319 . . . . 0.0 110.594 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.575 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 71.5 m -81.39 151.77 27.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.471 -178.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.674 ' CG ' HD12 ' A' ' 48' ' ' ILE . 76.0 m-85 -147.02 152.44 38.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.5 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.513 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 14.9 m-85 -95.54 109.76 21.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.562 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 40' ' ' ASP . 51.6 p30 -77.19 -159.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.541 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.437 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 45.4 mp0 -67.95 -40.09 83.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.583 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -75.89 6.79 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.52 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.4 mmm-85 58.68 39.96 23.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.562 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.656 ' ND2' HE21 ' A' ' 46' ' ' GLN . 0.0 OUTLIER -110.7 139.19 46.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.517 ' N ' ' OD1' ' A' ' 44' ' ' ASN . 5.2 mt -67.32 113.03 4.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.593 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.656 HE21 ' ND2' ' A' ' 44' ' ' ASN . 90.8 mt-30 -124.57 142.38 51.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.578 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.5 m -83.95 121.26 27.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.597 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.674 HD12 ' CG ' ' A' ' 38' ' ' PHE . 48.0 mt -102.38 91.81 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.563 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.93 106.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.551 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.92 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 20.6 p30 -95.09 113.61 25.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.639 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.603 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 61.2 m-85 -91.82 60.37 3.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.582 178.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.603 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.9 m -168.58 -174.32 2.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.572 -178.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -97.99 80.48 2.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.529 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.514 ' CD1' ' OD2' ' A' ' 50' ' ' ASP . 46.0 p90 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.53 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.634 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 23.6 m . . . . . 0 CA--C 1.518 -0.268 0 CA-C-O 117.536 -1.221 . . . . 0.0 111.856 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -136.61 138.02 40.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 119.449 1.022 . . . . 0.0 110.553 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -136.49 117.59 14.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.584 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.432 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 43.9 t -75.65 137.56 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.549 -177.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.633 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.7 m-85 -86.48 122.69 30.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.621 177.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.432 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 52.7 mp0 -103.67 135.29 45.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.557 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.488 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.26 57.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.595 179.222 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -130.63 131.12 23.11 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.56 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -45.77 123.74 6.28 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.817 2.345 . . . . 0.0 112.204 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.542 HG23 ' N ' ' A' ' 14' ' ' SER . 24.2 m -76.19 -43.1 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.538 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.542 ' N ' HG23 ' A' ' 13' ' ' VAL . 86.8 p -51.04 -37.53 45.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.516 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.452 ' HZ2' ' HG3' ' A' ' 15' ' ' LYS . 56.8 mttp -70.78 -33.03 70.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.613 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.535 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 0.3 OUTLIER -66.16 -7.65 19.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.564 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.412 ' CG ' ' O ' ' A' ' 14' ' ' SER . 14.0 pt20 -65.63 -7.36 14.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.575 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.547 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.3 mt -121.84 98.92 6.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.585 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.501 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.94 -12.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.631 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.6 m-20 -84.75 -42.83 14.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.534 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -72.45 -43.65 63.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.582 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.58 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 39.2 t -54.98 -59.64 4.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.715 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.631 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.6 p-10 -59.27 -46.71 87.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.685 -178.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -58.67 -56.51 21.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.606 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -53.02 -40.75 64.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.747 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.633 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -56.53 -49.82 73.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.667 179.728 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.666 ' O ' ' N ' ' A' ' 31' ' ' HIS . 48.0 mtmt -63.61 -52.33 61.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.624 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.3 mt -55.35 -28.97 57.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.68 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -91.15 -53.27 4.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.627 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.505 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 34.0 mmtm -110.12 -15.69 13.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 -175.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.666 ' N ' ' O ' ' A' ' 27' ' ' LYS . 41.9 m-70 66.06 55.77 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.541 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -94.49 -168.18 1.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.472 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.585 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 12.0 mmt-85 -79.01 -52.87 7.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.609 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 33.6 m -129.0 -78.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.618 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.563 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.22 55.05 2.43 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -76.01 172.98 11.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.605 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.58 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 62.6 m -81.21 149.9 28.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.58 ' CG ' HD12 ' A' ' 48' ' ' ILE . 84.0 m-85 -145.54 151.1 37.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.606 178.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.427 ' CE1' HD23 ' A' ' 45' ' ' LEU . 10.7 m-85 -87.73 110.05 20.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.55 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.436 ' OD2' ' OE1' ' A' ' 46' ' ' GLN . 74.0 m-20 -80.94 -158.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.629 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -69.03 -42.4 76.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.52 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -75.55 4.04 8.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.54 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.3 mmm-85 59.25 39.24 22.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.486 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.725 HD21 ' NE2' ' A' ' 46' ' ' GLN . 15.8 p-10 -112.54 120.17 40.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.584 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.427 HD23 ' CE1' ' A' ' 39' ' ' TYR . 7.3 mt -45.65 110.74 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.636 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.725 ' NE2' HD21 ' A' ' 44' ' ' ASN . 1.9 mt-30 -121.78 140.79 51.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.55 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 84.4 m -82.46 122.45 28.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.622 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.58 HD12 ' CG ' ' A' ' 38' ' ' PHE . 47.8 mt -105.12 93.32 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.597 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.33 115.61 4.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.526 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.823 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 12.6 p30 -103.62 133.07 49.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.55 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.635 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 66.1 m-85 -110.48 63.63 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.616 178.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.635 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.1 m -169.18 -171.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.643 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -98.49 80.07 2.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.575 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.7 p90 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.554 179.675 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.579 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 31.6 m . . . . . 0 CA--C 1.518 -0.269 0 CA-C-O 117.077 -1.439 . . . . 0.0 112.255 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -130.41 130.71 44.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 119.894 1.224 . . . . 0.0 110.584 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -126.15 111.97 15.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.592 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 7' ' ' VAL . 11.0 p -76.44 133.45 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.475 -177.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.625 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 3.0 m-85 -82.97 135.85 34.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.627 178.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.527 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 45.0 mp0 -114.4 132.21 56.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.61 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.485 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.7 OUTLIER 65.74 65.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 179.209 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -134.65 134.43 22.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.519 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -45.94 123.64 6.39 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.81 2.34 . . . . 0.0 112.179 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.542 HG23 ' N ' ' A' ' 14' ' ' SER . 29.2 m -77.13 -43.35 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.552 179.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.542 ' N ' HG23 ' A' ' 13' ' ' VAL . 85.0 p -50.69 -36.86 38.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.55 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -69.75 -32.19 70.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.536 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -7.57 17.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.564 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.414 ' CG ' ' O ' ' A' ' 14' ' ' SER . 11.8 pt20 -64.55 -6.13 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.7 mt -126.88 98.09 5.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.506 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.485 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.39 -11.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.59 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 97.5 m-20 -84.69 -39.51 18.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' LEU . 78.8 mm-40 -73.59 -45.7 51.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.648 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.594 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 21.5 t -55.02 -58.97 5.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.643 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.59 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 11.0 p-10 -58.95 -44.7 91.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.615 -178.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -59.31 -56.87 16.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.704 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -54.3 -41.64 69.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.709 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.625 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -54.0 -50.37 66.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.557 -179.758 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.682 ' O ' ' N ' ' A' ' 31' ' ' HIS . 15.0 mtpp -65.47 -51.38 60.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.716 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.4 mt -54.62 -28.64 48.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.653 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -93.6 -51.56 4.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.577 -177.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.494 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 57.2 mmtt -106.84 -19.76 13.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.659 -176.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.682 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.0 m80 70.79 48.52 0.41 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.603 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.566 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -88.47 -163.13 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.494 178.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.536 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 18.0 mmt180 -86.07 -53.26 5.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.574 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 39.3 m -128.1 -78.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.583 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.594 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 86.75 56.08 2.3 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -74.44 173.55 10.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.737 0.303 . . . . 0.0 110.646 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.555 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 65.4 m -81.67 151.62 27.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.586 -178.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.7 ' CG ' HD12 ' A' ' 48' ' ' ILE . 57.5 m-85 -143.0 148.57 36.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.67 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.491 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 16.6 m-85 -93.82 109.36 21.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.497 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -82.01 -161.34 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.549 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -68.58 -40.31 80.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.599 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.415 ' HZ2' ' HB3' ' A' ' 42' ' ' LYS . 15.8 mtpp -74.69 2.95 8.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.565 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.1 mmm-85 59.76 35.13 22.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.716 ' ND2' HE21 ' A' ' 46' ' ' GLN . 14.5 p-10 -107.96 120.69 43.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.55 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.491 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 6.0 mt -51.52 113.47 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.716 HE21 ' ND2' ' A' ' 44' ' ' ASN . 34.4 mm-40 -121.94 140.65 52.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.504 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 76.1 m -84.3 122.38 28.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.62 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.7 HD12 ' CG ' ' A' ' 38' ' ' PHE . 46.9 mt -103.96 91.75 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.6 106.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.561 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.916 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 19.0 p30 -92.65 121.36 34.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.547 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.64 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 46.7 m-85 -100.11 62.92 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.639 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.64 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 6.2 m -170.91 -172.86 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -94.58 80.36 3.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.576 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.597 179.739 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.661 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 18.6 m . . . . . 0 CA--C 1.517 -0.324 0 CA-C-O 117.325 -1.322 . . . . 0.0 112.168 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -132.19 136.02 46.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 119.641 1.109 . . . . 0.0 110.604 -178.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -135.94 116.08 13.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.602 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.5 p -76.39 137.78 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.542 -177.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.625 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.4 m-85 -84.8 135.51 34.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.569 178.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.524 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 36.0 mp0 -118.17 136.29 53.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.516 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 68.38 58.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 179.244 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -131.35 152.57 80.76 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.78 123.72 12.81 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.845 2.363 . . . . 0.0 112.166 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.55 HG23 ' N ' ' A' ' 14' ' ' SER . 34.1 m -77.62 -44.76 29.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.573 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.55 ' N ' HG23 ' A' ' 13' ' ' VAL . 22.6 m -51.0 -38.06 48.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.566 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -71.75 -30.33 65.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.591 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -60.17 -16.04 29.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.598 179.808 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.446 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.5 pt20 -63.81 -0.69 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.516 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.574 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.5 mt -127.01 89.81 3.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.527 179.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.448 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -43.73 -14.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.618 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.597 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 98.6 m-20 -85.26 -36.22 21.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.651 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 18' ' ' LEU . 85.9 mm-40 -75.62 -49.28 18.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.59 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 2.7 t -56.46 -57.68 11.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.726 -178.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.597 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 21.6 p-10 -56.11 -43.27 77.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.718 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -59.78 -47.27 86.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.678 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -63.8 -41.91 97.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.7 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.625 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -53.69 -50.58 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.638 -179.689 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.622 ' O ' ' N ' ' A' ' 31' ' ' HIS . 43.0 mtpt -65.47 -51.65 58.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.665 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.3 mt -56.09 -28.5 57.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.656 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -92.48 -54.39 3.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.604 -177.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.503 ' C ' ' CG ' ' A' ' 31' ' ' HIS . 53.2 mmtt -104.63 -20.22 13.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.574 -176.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.622 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.1 m80 73.14 48.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.642 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.554 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -87.72 -165.53 1.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.516 178.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.611 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 20.0 mmt-85 -83.95 -53.43 5.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.561 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.3 m -127.88 -75.97 0.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.66 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.736 ' O ' ' SG ' ' A' ' 47' ' ' CYS . . . 86.51 61.15 1.65 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -79.61 168.12 19.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.719 0.295 . . . . 0.0 110.629 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.578 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 73.5 m -81.02 147.76 30.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.499 -178.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.713 ' CG ' HD12 ' A' ' 48' ' ' ILE . 65.0 m-85 -139.68 148.18 42.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.667 178.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.456 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 15.8 m-85 -92.14 109.75 21.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.518 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.428 ' OD2' ' OE1' ' A' ' 46' ' ' GLN . 88.0 m-20 -85.87 -161.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.583 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -72.33 -39.62 68.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.596 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -71.07 2.34 4.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.615 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.8 mmm-85 58.86 29.7 19.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.705 HD21 ' NE2' ' A' ' 46' ' ' GLN . 17.5 p-10 -109.2 114.97 29.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.456 HD22 ' CZ ' ' A' ' 39' ' ' TYR . 5.8 mt -46.02 116.83 1.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.705 ' NE2' HD21 ' A' ' 44' ' ' ASN . 3.2 mt-30 -122.01 142.12 50.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.736 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -86.72 124.76 33.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.553 179.561 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.713 HD12 ' CG ' ' A' ' 38' ' ' PHE . 63.0 mt -102.35 91.01 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.495 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.79 114.22 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.567 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.836 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 11.0 p30 -102.63 133.05 48.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.639 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 61.4 m-85 -110.82 63.07 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.581 178.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.639 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 10.0 m -169.07 -171.66 1.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.545 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -100.74 80.04 2.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.577 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.422 ' CD2' ' OD2' ' A' ' 50' ' ' ASP . 33.3 p90 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.525 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.637 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 24.4 m . . . . . 0 CA--C 1.517 -0.305 0 CA-C-O 117.266 -1.35 . . . . 0.0 111.845 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -130.78 132.41 45.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 119.715 1.143 . . . . 0.0 110.561 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -128.45 112.48 14.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.622 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.431 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 41.3 t -75.11 135.97 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.523 -177.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.618 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.8 m-85 -87.63 126.33 34.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 178.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 7' ' ' VAL . 50.8 mp0 -107.73 134.34 50.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.645 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.469 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.53 59.47 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.592 179.01 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -131.76 132.63 23.43 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.505 178.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -45.94 124.23 7.01 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.816 2.344 . . . . 0.0 112.192 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.538 HG23 ' N ' ' A' ' 14' ' ' SER . 17.4 m -76.89 -43.24 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.538 ' N ' HG23 ' A' ' 13' ' ' VAL . 28.1 m -50.22 -37.46 35.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -69.18 -31.32 69.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.505 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -7.35 21.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.45 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.4 pt20 -64.37 -7.07 8.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.535 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.565 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.8 mt -126.45 98.32 5.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.494 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.94 -10.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.605 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 97.7 m-20 -84.7 -40.19 17.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 18' ' ' LEU . 76.7 mm-40 -73.56 -45.62 52.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.639 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.588 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 19.0 t -54.84 -59.36 4.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.597 -179.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.605 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.6 p-10 -57.86 -46.54 84.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.686 -178.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -58.91 -57.66 12.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.67 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -52.51 -40.08 62.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.706 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.618 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -55.21 -49.45 71.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.662 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.665 ' O ' ' N ' ' A' ' 31' ' ' HIS . 36.9 mtmt -65.32 -50.89 63.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.706 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.1 mt -54.82 -28.33 48.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.658 -178.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -94.09 -52.13 4.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.583 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.498 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 35.3 mmtm -109.03 -15.32 14.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.583 -175.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.665 ' N ' ' O ' ' A' ' 27' ' ' LYS . 39.9 m-70 65.04 53.67 1.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.638 179.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.561 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -93.53 -169.22 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.542 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.581 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 17.4 mmt85 -77.32 -53.45 7.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.567 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.464 ' OG ' ' OD2' ' A' ' 50' ' ' ASP . 5.8 p -130.12 -77.8 0.54 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.588 178.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.588 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.4 54.81 2.46 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -73.4 173.79 9.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.773 0.321 . . . . 0.0 110.676 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.576 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 63.1 m -82.72 151.42 26.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.561 -178.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.682 ' CG ' HD12 ' A' ' 48' ' ' ILE . 56.5 m-85 -142.33 144.78 33.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.646 177.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.462 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 17.7 m-85 -90.96 109.64 20.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.581 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.529 ' OD2' ' NE2' ' A' ' 46' ' ' GLN . 81.8 m-20 -88.22 -158.65 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.582 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -72.38 -39.63 67.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.546 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -71.75 3.92 3.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.553 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.7 mtm180 57.32 18.25 4.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.605 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.424 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 17.9 p-10 -97.78 114.87 27.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.581 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.462 HD22 ' CZ ' ' A' ' 39' ' ' TYR . 5.9 mt -46.31 118.72 2.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.569 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.529 ' NE2' ' OD2' ' A' ' 40' ' ' ASP . 12.6 mt-30 -121.77 139.65 53.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.492 179.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 78.4 m -84.66 123.05 29.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.607 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.682 HD12 ' CG ' ' A' ' 38' ' ' PHE . 42.9 mt -103.94 91.54 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.558 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.29 107.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.556 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.857 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 17.1 p30 -96.62 127.55 42.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.522 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.641 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 62.4 m-85 -104.73 62.82 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.667 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.641 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 8.5 m -169.46 -173.2 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.563 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -98.39 79.81 2.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.647 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.0 p90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.563 179.69 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.699 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 16.1 m . . . . . 0 CA--C 1.534 0.358 0 CA-C-O 117.073 -1.442 . . . . 0.0 111.429 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -133.59 134.68 43.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 119.922 1.237 . . . . 0.0 110.599 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -134.07 114.07 12.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.55 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.9 t -74.28 137.15 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.514 -177.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.623 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.7 m-85 -87.52 125.14 34.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.62 177.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -106.03 135.87 46.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.59 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.472 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 66.1 58.16 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.573 179.21 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -130.41 131.44 23.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.52 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -46.02 123.97 6.84 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.83 2.353 . . . . 0.0 112.192 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.527 HG23 ' N ' ' A' ' 14' ' ' SER . 32.9 m -76.73 -42.8 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.553 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.527 ' N ' HG23 ' A' ' 13' ' ' VAL . 24.6 m -50.05 -37.97 35.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.544 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -70.77 -31.8 68.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.509 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -7.07 17.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.635 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.457 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.4 pt20 -64.8 -7.87 12.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.554 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.5 mt -123.47 98.74 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.517 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.494 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -46.01 -11.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.617 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.608 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 100.0 m-20 -84.93 -41.22 16.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -72.85 -44.3 61.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.628 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.585 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 28.1 t -55.63 -59.38 4.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.643 -179.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.608 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.5 p-10 -58.88 -45.82 89.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.66 -178.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -58.54 -57.58 12.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.696 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -53.5 -41.21 66.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.712 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.623 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -54.55 -50.58 67.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.725 -179.808 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.69 ' O ' ' N ' ' A' ' 31' ' ' HIS . 45.5 mtpt -64.66 -51.96 59.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.637 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.5 mt -54.72 -28.24 46.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.642 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -91.99 -52.77 4.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.552 -178.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.499 ' C ' ' CG ' ' A' ' 31' ' ' HIS . 55.6 mmtt -107.67 -19.44 13.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.605 -176.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.69 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.0 m80 72.51 47.59 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.619 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.574 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -87.19 -164.45 1.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.527 178.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.533 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 11.7 mmt-85 -85.88 -52.78 5.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.563 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 36.2 m -127.7 -78.52 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.67 178.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.578 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 86.25 55.77 2.42 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 178.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -73.93 173.64 9.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 0.0 110.673 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.585 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 68.7 m -81.57 152.01 27.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.509 -178.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.69 ' CG ' HD12 ' A' ' 48' ' ' ILE . 64.6 m-85 -144.32 150.03 37.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.6 177.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.478 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 16.7 m-85 -95.47 108.71 20.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.509 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -80.19 -157.68 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.573 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -69.13 -39.67 78.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.565 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -76.55 7.89 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.569 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 59.03 17.9 5.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.606 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.64 ' ND2' ' NE2' ' A' ' 46' ' ' GLN . 12.4 p-10 -88.33 133.76 33.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.652 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.478 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 6.1 mt -66.13 116.6 7.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.587 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.64 ' NE2' ' ND2' ' A' ' 44' ' ' ASN . 97.1 mm-40 -126.33 142.97 51.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.568 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.8 m -85.44 124.21 31.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.594 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.69 HD12 ' CG ' ' A' ' 38' ' ' PHE . 51.5 mt -103.67 91.49 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.556 179.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.44 110.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.597 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.881 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 17.5 p30 -98.14 125.01 42.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.699 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 54.2 m-85 -103.23 61.04 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.636 178.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -156.92 -175.65 5.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.636 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.8 mp0 -88.28 81.9 7.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.546 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.435 ' CE2' ' OG ' ' A' ' 34' ' ' SER . 43.1 p90 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.542 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.617 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 27.6 m . . . . . 0 CA--C 1.517 -0.316 0 CA-C-O 117.247 -1.359 . . . . 0.0 112.11 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -130.08 130.29 44.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 119.776 1.171 . . . . 0.0 110.55 -178.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -126.27 112.42 15.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.64 177.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.433 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 45.4 t -75.69 136.45 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.491 -177.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.611 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.9 m-85 -87.81 125.48 34.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.619 178.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 7' ' ' VAL . 50.9 mp0 -106.83 135.1 48.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.607 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.472 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.7 OUTLIER 66.35 59.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.559 179.225 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -131.58 132.65 23.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.571 178.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -45.97 123.88 6.68 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.858 2.372 . . . . 0.0 112.116 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.55 HG23 ' N ' ' A' ' 14' ' ' SER . 22.7 m -76.39 -43.52 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.606 179.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.55 ' N ' HG23 ' A' ' 13' ' ' VAL . 22.9 t -49.74 -37.73 30.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.58 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -68.71 -31.16 70.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.53 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -7.22 22.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.446 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.2 pt20 -64.82 -7.1 9.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.524 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.5 mt -127.15 98.96 5.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.522 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.483 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.71 -11.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.606 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.607 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.8 m-20 -83.75 -40.08 19.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.582 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 18' ' ' LEU . 80.6 mm-40 -74.03 -45.12 51.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.557 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.583 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 34.7 t -54.33 -58.95 5.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.692 -179.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.607 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 11.0 p-10 -59.42 -47.42 85.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.681 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -56.71 -58.67 7.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.665 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -52.49 -40.4 62.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.731 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.611 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.92 -49.3 71.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.654 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.711 ' O ' ' N ' ' A' ' 31' ' ' HIS . 27.9 mttp -63.74 -54.04 41.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.713 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.1 mt -54.66 -28.83 50.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.719 -177.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -90.41 -49.26 6.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.61 -177.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.495 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 63.7 mmtt -114.11 -20.4 10.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.644 -175.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.711 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.2 m80 71.55 57.45 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.624 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.611 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -97.21 -167.81 1.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.503 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.536 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 12.2 mmm180 -83.35 -51.45 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.614 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.455 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 28.4 m -126.66 -78.39 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.586 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.583 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 86.82 53.84 2.77 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -75.06 171.54 13.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 110.673 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 68.0 m -81.95 151.61 27.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.538 -178.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.735 ' CG ' HD12 ' A' ' 48' ' ' ILE . 48.1 m-85 -141.19 147.53 38.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.549 177.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.475 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 18.2 m-85 -96.06 108.78 21.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.52 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -85.53 -160.02 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -69.16 -39.48 78.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.62 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -71.98 4.38 3.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.631 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 58.67 18.23 5.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.575 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.769 HD21 HE21 ' A' ' 46' ' ' GLN . 12.0 p-10 -94.18 130.35 40.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.59 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.475 HD22 ' CZ ' ' A' ' 39' ' ' TYR . 4.7 mt -61.99 117.88 6.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.613 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.769 HE21 HD21 ' A' ' 44' ' ' ASN . 71.4 mt-30 -122.03 138.3 54.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.634 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 69.5 m -83.43 122.43 28.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.735 HD12 ' CG ' ' A' ' 38' ' ' PHE . 41.2 mt -103.24 92.41 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.0 104.23 0.35 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.569 179.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.899 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 21.0 p30 -90.56 119.89 31.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.484 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.625 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 43.9 m-85 -97.67 63.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.625 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 6.0 m -170.13 -174.82 1.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.632 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mp0 -82.21 80.02 8.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.603 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.559 179.392 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.622 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 32.5 m . . . . . 0 CA--C 1.518 -0.28 0 CA-C-O 117.032 -1.461 . . . . 0.0 112.054 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.488 ' NZ ' ' CB ' ' A' ' 5' ' ' LYS . 4.9 mtpm? -137.73 137.38 38.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 119.914 1.234 . . . . 0.0 110.589 -178.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.473 ' HB2' ' HZ2' ' A' ' 6' ' ' LYS . 6.9 mtpm? -133.72 116.92 16.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.593 178.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.3 t -74.48 137.22 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.545 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.629 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.8 m-85 -87.17 124.11 32.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.566 177.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -105.98 135.27 47.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.481 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.32 57.7 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.593 179.135 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -130.87 135.69 27.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.522 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -45.71 124.29 6.76 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.784 2.323 . . . . 0.0 112.192 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.457 HG22 ' OD1' ' A' ' 44' ' ' ASN . 11.4 t -76.8 -46.5 30.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.562 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.437 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 22.8 t -49.72 -37.03 27.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.578 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -66.22 -31.13 71.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.569 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -10.88 34.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.585 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.437 ' OE1' ' O ' ' A' ' 14' ' ' SER . 9.1 pt20 -64.55 -3.34 3.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.548 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.562 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.8 mt -129.67 96.28 4.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.487 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.501 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.77 -11.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.561 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.617 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.6 m-20 -84.24 -41.44 16.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.561 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -72.91 -44.1 61.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.56 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.566 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 35.3 t -54.91 -59.26 4.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.702 -179.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.617 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 12.4 p-10 -59.75 -44.12 93.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.638 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -59.75 -57.41 13.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.669 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -53.57 -42.18 67.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.678 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.629 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -53.49 -49.76 66.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.753 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.668 ' O ' ' N ' ' A' ' 31' ' ' HIS . 46.7 mtpt -66.12 -50.29 64.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.687 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.9 mt -54.89 -28.02 47.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.613 -178.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -94.62 -52.0 4.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.622 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.512 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 55.1 mmtt -107.62 -17.02 14.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.618 -176.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.668 ' N ' ' O ' ' A' ' 27' ' ' LYS . 42.0 m-70 66.28 50.59 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.593 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.528 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -88.61 -163.7 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.524 178.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.576 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 30.6 mmt-85 -83.86 -53.15 5.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.62 178.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 36.9 m -128.84 -78.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.559 178.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.566 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.1 55.78 2.31 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -75.96 173.9 10.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 110.667 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.539 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 85.3 m -81.74 149.92 28.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.557 -178.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.539 ' CG ' HD12 ' A' ' 48' ' ' ILE . 88.1 m-85 -146.25 146.38 30.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.561 177.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.505 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 13.2 m-85 -89.78 111.33 22.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.584 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.402 ' HB2' HE21 ' A' ' 46' ' ' GLN . 82.4 m-20 -90.82 -160.23 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.624 179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -82.73 11.04 6.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.59 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -111.51 3.75 18.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 56.05 17.15 2.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.564 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.602 ' OD1' ' C ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -114.0 120.7 41.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.643 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.505 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 9.4 mt -47.66 122.75 5.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.537 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 44' ' ' ASN . 17.5 mt-30 -125.17 141.17 52.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.53 179.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.0 m -85.33 123.8 31.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.644 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.539 HD12 ' CG ' ' A' ' 38' ' ' PHE . 49.7 mt -106.51 93.59 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.678 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.67 111.72 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.558 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.893 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 17.2 p30 -97.73 124.91 42.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.612 179.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.648 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 48.2 m-85 -103.38 62.62 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.63 179.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.648 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.9 m -169.93 -173.6 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.638 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -95.45 79.75 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.513 179.645 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.57 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 37.2 m . . . . . 0 CA--C 1.522 -0.112 0 CA-C-O 117.009 -1.472 . . . . 0.0 111.867 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -132.15 138.71 48.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 119.908 1.231 . . . . 0.0 110.599 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -135.52 115.93 13.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.574 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.43 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 22.9 t -75.93 138.16 21.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.51 -177.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.627 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.8 m-85 -87.19 126.29 34.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.584 177.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.434 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 52.6 mp0 -103.7 131.68 50.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.595 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 61.84 73.57 0.47 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.589 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -139.12 144.14 39.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.494 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -46.16 123.4 6.39 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.877 2.385 . . . . 0.0 112.248 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.617 HG13 ' N ' ' A' ' 14' ' ' SER . 7.4 p -78.94 -48.88 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.51 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.617 ' N ' HG13 ' A' ' 13' ' ' VAL . 90.1 p -50.32 -35.29 26.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.516 -178.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.6 mmtm -67.76 -30.76 70.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.447 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -15.01 61.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.572 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.411 ' CG ' ' O ' ' A' ' 14' ' ' SER . 11.9 pt20 -64.75 -1.89 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.533 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.585 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.9 mt -131.95 96.54 3.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.538 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.447 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.04 -12.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.627 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.614 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 98.6 m-20 -82.06 -39.88 22.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.604 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' LEU . 92.1 mm-40 -74.54 -46.6 37.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.624 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.592 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 43.3 t -52.54 -59.44 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.64 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.614 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 14.5 p-10 -59.67 -46.74 88.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.747 -178.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -56.95 -59.06 5.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.714 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -52.61 -41.9 64.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.683 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.627 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.72 -48.85 71.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.637 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.685 ' O ' ' N ' ' A' ' 31' ' ' HIS . 30.5 mttp -64.93 -52.91 53.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.597 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.7 mt -54.67 -28.98 51.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.615 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -92.35 -50.22 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.629 -177.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.507 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 58.2 mmtt -112.23 -18.37 12.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.617 -176.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.685 ' N ' ' O ' ' A' ' 27' ' ' LYS . 42.0 m-70 66.6 60.11 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.602 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.562 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -96.98 -166.65 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.526 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.566 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 13.1 mmt85 -84.16 -49.8 8.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.619 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 38.0 m -127.16 -79.06 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.592 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.87 55.23 2.31 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -78.61 171.98 14.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.658 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 83.0 m -82.45 150.87 26.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.546 -178.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.662 ' CG ' HD12 ' A' ' 48' ' ' ILE . 62.3 m-85 -142.32 146.82 35.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.632 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.517 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 14.8 m-85 -92.71 109.69 21.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.539 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.43 ' OD2' ' OE1' ' A' ' 46' ' ' GLN . 69.6 m-20 -85.71 -150.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.58 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.664 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 1.9 pm0 -80.13 -40.94 26.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.594 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -70.93 3.14 3.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.605 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 mmm-85 57.04 32.24 21.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.555 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.702 HD21 ' NE2' ' A' ' 46' ' ' GLN . 17.2 p-10 -110.21 116.79 32.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.58 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.517 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 10.3 mt -46.14 114.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.518 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.702 ' NE2' HD21 ' A' ' 44' ' ' ASN . 3.1 mt-30 -119.16 139.01 52.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 65.3 m -83.57 123.57 29.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.685 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.662 HD12 ' CG ' ' A' ' 38' ' ' PHE . 37.9 mt -105.97 94.38 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.56 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.7 111.33 2.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.583 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.863 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 17.5 p30 -98.45 127.63 44.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.509 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.65 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 58.8 m-85 -105.62 62.99 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.559 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.65 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.4 m -170.45 -172.63 1.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.552 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -93.22 79.88 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.615 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.542 179.692 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 35.2 m . . . . . 0 CA--C 1.519 -0.228 0 CA-C-O 117.103 -1.427 . . . . 0.0 112.446 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -129.59 131.22 46.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 119.824 1.193 . . . . 0.0 110.568 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -126.17 112.07 15.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.609 177.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.0 t -75.65 135.9 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.481 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.627 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 3.0 m-85 -86.38 135.47 33.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.598 177.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -119.02 135.46 54.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.6 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.523 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.72 60.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.604 179.432 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -132.04 153.23 81.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.51 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.88 123.87 13.43 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.774 2.316 . . . . 0.0 112.26 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.585 HG13 ' N ' ' A' ' 14' ' ' SER . 9.9 p -76.49 -46.19 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.533 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.585 ' N ' HG13 ' A' ' 13' ' ' VAL . 24.6 m -51.44 -35.69 40.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.534 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.0 mmtm -66.22 -32.73 74.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.515 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -10.58 28.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.539 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' A' ' 14' ' ' SER . 9.6 pt20 -64.01 -4.46 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.577 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.593 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.9 mt -130.99 96.59 4.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.62 179.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.47 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.26 -12.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.588 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.6 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 95.2 m-20 -83.05 -38.86 21.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 18' ' ' LEU . 91.2 mm-40 -74.31 -46.84 38.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.594 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.583 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 34.2 t -53.68 -58.68 6.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.709 -179.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.6 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 12.4 p-10 -59.53 -44.66 93.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.624 -178.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -59.56 -56.47 21.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.688 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.74 -42.55 68.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.718 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.627 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.14 -50.41 67.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.655 -179.816 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.66 ' O ' ' N ' ' A' ' 31' ' ' HIS . 25.1 mtmt -66.21 -49.59 66.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.697 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.8 mt -54.93 -29.11 55.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.616 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -96.4 -50.1 4.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.586 -177.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.505 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 56.6 mmtt -107.05 -16.82 14.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.584 -176.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.66 ' N ' ' O ' ' A' ' 27' ' ' LYS . 37.1 m-70 63.83 49.82 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.613 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.507 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -88.68 -163.47 0.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.546 178.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.573 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 18.1 mmm180 -82.64 -54.22 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.553 179.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 33.4 m -128.78 -78.3 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.603 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.583 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 88.03 56.43 2.07 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 178.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -76.47 174.3 10.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.575 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.524 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 71.1 m -82.76 150.34 26.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.543 -178.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.585 ' CG ' HD12 ' A' ' 48' ' ' ILE . 83.4 m-85 -145.43 141.45 28.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.601 177.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.498 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 14.0 m-85 -85.46 120.08 26.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 -178.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.452 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 54.3 p-10 -97.46 -151.26 0.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.611 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.43 ' OE1' ' N ' ' A' ' 41' ' ' GLU . 52.6 mp0 -79.4 -39.74 31.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -70.15 3.39 2.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.599 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 56.31 30.12 16.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.528 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.806 HD21 HE21 ' A' ' 46' ' ' GLN . 12.9 p-10 -113.04 120.21 40.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 179.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.498 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 10.9 mt -46.46 117.08 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.563 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.806 HE21 HD21 ' A' ' 44' ' ' ASN . 19.2 mt-30 -118.04 140.06 50.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.594 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 66.9 m -86.16 123.1 31.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.568 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.585 HD12 ' CG ' ' A' ' 38' ' ' PHE . 46.6 mt -107.32 93.87 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.35 104.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.523 179.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.897 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 21.7 p30 -88.43 113.96 24.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.592 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.653 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 32.9 m-85 -92.97 62.31 3.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.631 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.653 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 5.1 m -172.16 -174.51 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.558 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -89.84 80.18 6.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.587 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.575 179.763 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 51.7 p30 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.822 0.344 . . . . 0.0 110.564 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -62.65 -25.82 68.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.598 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.617 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 34.6 m -67.55 36.25 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 117.095 -1.431 . . . . 0.0 112.18 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -130.8 137.63 49.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 119.86 1.209 . . . . 0.0 110.593 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -135.11 116.38 14.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.55 178.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.9 t -76.59 137.08 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.495 -177.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.633 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.7 m-85 -85.95 125.85 33.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.587 177.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -107.35 135.33 49.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.462 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.7 OUTLIER 66.03 59.56 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.626 179.171 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -131.33 133.59 24.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.551 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -46.37 124.0 7.34 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.846 2.364 . . . . 0.0 112.176 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.523 HG23 ' N ' ' A' ' 14' ' ' SER . 28.1 m -76.56 -42.24 34.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.531 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.523 ' N ' HG23 ' A' ' 13' ' ' VAL . 33.4 t -50.58 -38.28 44.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.548 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -68.39 -31.0 70.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.536 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -7.05 27.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.449 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.1 pt20 -64.35 -6.25 6.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.492 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.7 mt -128.88 99.67 5.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.591 178.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.478 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.58 -11.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.581 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.603 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.6 m-20 -84.57 -40.27 17.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.558 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 18' ' ' LEU . 80.4 mm-40 -73.21 -44.55 59.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.625 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.605 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 19.5 t -55.8 -58.89 5.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.694 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.603 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.4 p-10 -59.19 -43.73 92.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.678 -178.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -60.49 -54.8 41.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.709 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -56.25 -41.8 76.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.686 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.633 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -53.78 -49.78 67.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.625 -179.71 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.667 ' O ' ' N ' ' A' ' 31' ' ' HIS . 45.2 mtpt -66.61 -50.65 62.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.653 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.2 mt -54.84 -27.64 43.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.632 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -94.93 -52.36 4.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.596 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.509 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 35.1 mmtm -107.32 -17.22 14.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.6 -176.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.667 ' N ' ' O ' ' A' ' 27' ' ' LYS . 42.0 m-70 66.67 54.42 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.569 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.585 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -92.97 -162.95 0.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.487 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.6 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 19.7 mmt-85 -84.45 -52.82 5.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.572 178.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 28.4 m -129.09 -78.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.591 178.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.605 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 86.34 56.03 2.36 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -75.08 173.68 10.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.327 . . . . 0.0 110.666 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.558 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 62.8 m -81.3 151.99 27.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.578 -178.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.703 ' CG ' HD12 ' A' ' 48' ' ' ILE . 57.4 m-85 -143.12 144.13 32.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.612 177.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.488 ' CE2' ' CD2' ' A' ' 45' ' ' LEU . 21.3 m-85 -92.57 109.95 21.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.553 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.427 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 49.9 p-10 -87.2 -155.14 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.631 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.5 mp0 -73.13 -38.69 66.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.605 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -72.19 3.81 4.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.609 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 58.9 17.45 5.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.58 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.703 HD21 HE21 ' A' ' 46' ' ' GLN . 8.8 p-10 -95.16 131.64 40.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.562 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.488 ' CD2' ' CE2' ' A' ' 39' ' ' TYR . 7.7 mt -60.5 117.37 5.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.56 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.703 HE21 HD21 ' A' ' 44' ' ' ASN . 95.5 mt-30 -120.96 137.04 54.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.528 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.3 m -84.49 120.8 26.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.703 HD12 ' CG ' ' A' ' 38' ' ' PHE . 50.1 mt -102.66 92.56 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.49 112.3 2.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.57 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.898 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 16.5 p30 -99.49 124.69 44.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.523 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.643 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 59.4 m-85 -103.23 62.62 0.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.579 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.643 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.2 m -170.58 -173.04 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.605 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -98.38 79.57 2.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.57 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.61 179.659 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.774 0.321 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -65.59 -45.6 82.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.0 m -99.19 -18.04 17.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -85.25 132.92 34.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.607 -176.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -131.91 119.18 20.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.561 177.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.413 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 59.8 t -76.17 137.14 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.509 -177.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.641 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.4 m-85 -85.46 128.06 34.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.628 177.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.507 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 55.9 mp0 -107.29 132.56 52.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.615 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.483 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.7 OUTLIER 64.84 67.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.561 178.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -136.3 135.39 20.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.583 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -46.11 123.72 6.68 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.797 2.331 . . . . 0.0 112.169 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.559 HG23 ' N ' ' A' ' 14' ' ' SER . 24.8 m -77.5 -44.03 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.587 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.559 ' N ' HG23 ' A' ' 13' ' ' VAL . 24.3 t -50.34 -37.92 39.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.541 -179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -69.19 -32.02 71.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.536 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.7 OUTLIER -70.12 -5.42 26.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.581 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.456 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.7 pt20 -62.66 -8.43 6.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.531 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.8 mt -126.66 102.96 7.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.576 178.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.485 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.16 -13.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.588 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.573 ' N ' ' O ' ' A' ' 18' ' ' LEU . 96.1 m-20 -83.77 -36.91 23.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.564 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 18' ' ' LEU . 83.5 mm-40 -74.16 -47.36 36.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.573 ' SG ' ' N ' ' A' ' 37' ' ' CYS . 35.0 t -53.02 -58.78 5.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.697 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.567 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.7 p-10 -59.16 -44.84 92.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.691 -178.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -58.75 -55.53 33.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.637 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -55.07 -41.38 71.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.71 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.641 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -55.32 -50.15 70.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.649 -179.818 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.623 ' O ' ' N ' ' A' ' 31' ' ' HIS . 5.1 mtpm? -64.44 -53.52 46.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.645 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.6 mt -56.23 -27.88 56.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.666 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -90.16 -56.22 3.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.633 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.521 ' C ' ' CG ' ' A' ' 31' ' ' HIS . 52.6 mmtt -105.27 -20.23 13.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.615 -176.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.623 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.3 m80 74.21 51.08 0.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.573 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.55 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -91.64 -165.92 1.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.55 178.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.589 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 14.1 mmt180 -81.96 -54.04 5.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.618 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 58.4 m -128.67 -77.38 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.629 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.51 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 85.64 54.87 2.68 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 177.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.491 ' C ' ' SG ' ' A' ' 22' ' ' CYS . 77.7 mm-40 -71.85 163.79 27.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.349 . . . . 0.0 110.588 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.573 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -89.59 148.56 23.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.585 -178.483 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.556 ' CD1' HD12 ' A' ' 48' ' ' ILE . 49.6 m-85 -134.39 157.52 46.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.657 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.448 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 11.1 m-85 -95.33 112.01 23.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.572 -179.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -92.63 -159.97 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.527 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 47.8 mp0 -71.1 -39.73 71.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.583 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -71.83 3.85 3.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.558 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 57.7 16.96 3.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.544 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.701 HD21 ' NE2' ' A' ' 46' ' ' GLN . 17.9 p-10 -99.21 113.6 25.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.58 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.448 HD22 ' CZ ' ' A' ' 39' ' ' TYR . 3.4 mt -47.85 124.4 7.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.574 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.701 ' NE2' HD21 ' A' ' 44' ' ' ASN . 17.2 mt-30 -123.7 130.78 53.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.574 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.413 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 67.5 m -78.33 120.93 23.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.576 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.556 HD12 ' CD1' ' A' ' 38' ' ' PHE . 68.9 mt -101.63 89.68 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.531 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.34 117.77 5.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.542 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.967 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 18.4 p30 -105.91 115.79 30.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.572 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.6 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 61.0 m-85 -95.93 60.6 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.581 178.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.6 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.4 m -168.55 -174.87 2.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.588 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -100.09 79.27 2.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.53 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 43.9 p90 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.621 179.424 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 52.6 p30 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.839 0.352 . . . . 0.0 110.559 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -63.36 -25.93 68.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.552 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.632 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 28.8 m -68.34 37.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 117.172 -1.394 . . . . 0.0 111.908 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -130.9 138.49 49.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 119.708 1.14 . . . . 0.0 110.607 -178.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.448 ' HB2' ' HZ2' ' A' ' 6' ' ' LYS . 6.8 mtpm? -135.23 115.15 13.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.683 178.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.432 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 61.0 t -75.28 137.97 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.556 -177.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.602 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 3.0 m-85 -86.41 132.13 34.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.545 177.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 54.4 mp0 -114.87 133.46 55.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 179.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.524 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.14 64.07 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.529 179.058 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -133.91 152.96 79.57 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.508 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.84 123.61 13.31 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.813 2.342 . . . . 0.0 112.153 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.6 t -78.3 -48.83 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.589 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.454 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 20.4 m -50.03 -36.33 28.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 -178.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -70.53 -30.33 67.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.513 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.5 OUTLIER -69.34 -6.5 30.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.55 179.678 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.454 ' OE1' ' O ' ' A' ' 14' ' ' SER . 11.1 pt20 -62.5 -7.9 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.512 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.572 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.8 mt -125.49 101.72 7.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.529 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.468 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.23 -13.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.608 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.59 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 97.2 m-20 -83.04 -37.43 23.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.602 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 18' ' ' LEU . 93.1 mm-40 -74.38 -47.04 36.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.55 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.565 ' SG ' ' N ' ' A' ' 37' ' ' CYS . 36.7 t -52.76 -59.1 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.676 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.59 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 15.1 p-10 -59.27 -46.82 87.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.652 -178.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -55.5 -59.44 4.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.686 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -52.7 -39.99 62.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.648 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.602 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.73 -49.14 71.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.634 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.688 ' O ' ' N ' ' A' ' 31' ' ' HIS . 24.4 mttp -63.98 -54.53 32.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.645 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 72.0 mt -54.73 -28.43 48.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.632 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -91.74 -51.0 5.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.614 -177.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.495 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 54.9 mmtt -110.32 -21.16 12.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 -176.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.688 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.2 m80 72.26 52.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.62 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.535 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -93.37 -170.44 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.482 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.562 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 9.9 mmt85 -81.06 -52.46 7.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.589 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 37.5 m -125.46 -77.69 0.59 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.65 178.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.517 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 84.02 51.94 3.81 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.485 ' C ' ' SG ' ' A' ' 22' ' ' CYS . 77.9 mm-40 -72.84 163.33 28.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 110.589 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.565 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -87.14 146.4 26.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.549 -178.826 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.527 ' CD1' HD12 ' A' ' 48' ' ' ILE . 32.6 m-85 -131.22 157.54 42.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.543 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 6.8 m-85 -93.78 114.58 26.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.551 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.445 ' OD2' ' OE1' ' A' ' 46' ' ' GLN . 85.3 m-20 -94.73 -162.29 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.601 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -70.77 -40.03 72.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.654 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -70.98 2.7 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 57.94 28.59 16.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.561 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.701 HD21 ' NE2' ' A' ' 46' ' ' GLN . 17.7 p-10 -110.29 113.91 26.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.442 ' C ' ' SG ' ' A' ' 37' ' ' CYS . 12.3 mt -46.58 120.87 3.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.556 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.701 ' NE2' HD21 ' A' ' 44' ' ' ASN . 6.8 mt-30 -122.17 133.5 54.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 68.5 m -79.38 124.56 28.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.628 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.527 HD12 ' CD1' ' A' ' 38' ' ' PHE . 66.2 mt -106.16 90.47 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.32 115.99 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.5 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.843 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 12.8 p30 -103.93 131.29 51.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.619 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 61.5 m-85 -109.92 63.33 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.621 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.619 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.5 m -169.06 -172.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.593 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.7 mp0 -98.75 79.31 2.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.574 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.586 179.623 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.814 0.34 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -64.13 -32.11 73.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.54 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.8 m -67.44 -21.33 65.56 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.828 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -81.99 135.31 35.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.578 -176.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.484 ' HB2' ' HZ2' ' A' ' 6' ' ' LYS . 7.0 mtpm? -133.09 115.91 15.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 177.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.4 t -73.16 136.99 24.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 -176.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.619 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.6 m-85 -85.9 132.61 34.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.551 177.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.52 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 57.2 mp0 -114.72 133.87 55.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.592 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.531 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.44 64.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.532 178.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -134.61 152.25 77.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.565 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -64.02 124.45 13.54 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.837 2.358 . . . . 0.0 112.176 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.563 HG23 ' N ' ' A' ' 14' ' ' SER . 34.2 m -77.59 -45.21 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.591 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.563 ' N ' HG23 ' A' ' 13' ' ' VAL . 15.6 m -50.5 -37.67 40.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.592 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -71.73 -31.19 66.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.525 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.5 OUTLIER -69.25 -5.61 24.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.538 179.657 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.415 ' CG ' ' O ' ' A' ' 14' ' ' SER . 15.8 pt20 -62.81 -9.17 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.506 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.563 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.8 mt -123.73 102.67 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.496 179.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.448 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.52 -13.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.565 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.4 m-20 -83.81 -36.12 23.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.596 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 18' ' ' LEU . 89.2 mm-40 -75.08 -48.03 25.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.621 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.564 ' SG ' ' N ' ' A' ' 37' ' ' CYS . 38.4 t -52.23 -59.1 4.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 -179.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.565 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 13.0 p-10 -59.02 -44.95 91.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.716 -178.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -57.83 -58.58 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.658 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -52.66 -40.78 63.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.683 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.619 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.32 -47.91 71.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.624 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.669 ' O ' ' N ' ' A' ' 31' ' ' HIS . 27.5 mttp -66.02 -53.07 43.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.671 -179.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.4 mt -55.34 -28.68 55.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.68 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -93.49 -50.82 5.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.569 -177.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.541 ' O ' ' OH ' ' A' ' 51' ' ' TYR . 54.1 mmtt -110.11 -19.46 13.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.621 -176.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.669 ' N ' ' O ' ' A' ' 27' ' ' LYS . 42.3 m-70 66.66 59.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.567 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.531 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -99.12 -167.16 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 179.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.548 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 12.5 mmt-85 -81.23 -52.64 7.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.636 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 9.9 m -126.73 -78.22 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.642 178.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.529 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 85.41 51.9 3.55 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 177.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.492 ' C ' ' SG ' ' A' ' 22' ' ' CYS . 78.3 mm-40 -72.78 163.01 28.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 110.66 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.564 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -89.53 147.72 23.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.559 -178.58 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.577 ' CD1' HD12 ' A' ' 48' ' ' ILE . 36.5 m-85 -133.3 157.54 45.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.623 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.409 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 10.4 m-85 -94.87 111.49 23.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.569 -179.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.4 ' OD2' ' CD ' ' A' ' 46' ' ' GLN . 78.6 m-20 -93.04 -161.91 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -68.17 -36.38 79.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.568 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 44' ' ' ASN . 59.5 mttp -79.02 16.97 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.543 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 44.37 18.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.523 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.639 HD21 ' NE2' ' A' ' 46' ' ' GLN . 16.3 p-10 -97.62 113.05 24.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.435 ' HG ' ' H ' ' A' ' 45' ' ' LEU . 4.6 mt -48.38 122.95 5.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.601 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.639 ' NE2' HD21 ' A' ' 44' ' ' ASN . 17.4 mt-30 -122.22 131.1 53.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.617 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 65.0 m -78.36 123.31 26.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.557 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.577 HD12 ' CD1' ' A' ' 38' ' ' PHE . 70.6 mt -104.32 90.45 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.594 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.91 113.2 2.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.608 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.926 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 19.6 p30 -102.73 116.03 31.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.537 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.598 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 67.6 m-85 -95.33 60.08 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 177.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.598 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 8.7 m -168.04 -175.73 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 -178.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -98.8 79.08 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.631 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.9 p90 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.628 179.566 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.84 0.353 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -61.06 -34.86 75.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.615 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.612 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 33.3 m -70.28 36.84 0.04 OUTLIER 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 117.023 -1.465 . . . . 0.0 112.14 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -131.16 135.97 47.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 119.966 1.257 . . . . 0.0 110.533 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -133.88 115.8 14.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.596 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 p -76.62 137.32 22.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.528 -177.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.64 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.7 m-85 -84.64 130.84 34.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.557 178.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 48.2 mp0 -108.37 131.31 54.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.549 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.466 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 1.1 m-20 64.24 69.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 178.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -136.8 135.3 19.99 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.616 178.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -45.69 123.76 6.2 Favored 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 122.873 2.382 . . . . 0.0 112.168 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.513 HG23 ' N ' ' A' ' 14' ' ' SER . 33.0 m -76.9 -42.0 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.538 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.513 ' N ' HG23 ' A' ' 13' ' ' VAL . 96.0 p -50.56 -37.4 39.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.568 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -69.15 -30.76 69.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.475 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.35 -7.03 33.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.602 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.445 ' OE1' ' O ' ' A' ' 14' ' ' SER . 9.5 pt20 -64.81 -7.11 9.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.579 ' C ' ' H ' ' A' ' 20' ' ' ASN . 7.7 mt -130.58 102.28 6.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.544 178.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.493 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -46.06 -9.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.605 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 98.6 m-20 -84.29 -40.67 17.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.623 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -73.22 -45.36 56.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.603 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.601 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 30.9 t -55.06 -59.04 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.681 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.605 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.8 p-10 -58.93 -45.15 91.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.627 -178.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -59.11 -56.76 18.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.66 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -54.12 -42.11 69.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.711 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.64 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.03 -49.68 68.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.656 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.672 ' O ' ' N ' ' A' ' 31' ' ' HIS . 6.2 mtpm? -65.65 -51.36 60.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.637 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.3 mt -55.0 -28.57 53.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.667 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -93.26 -52.6 4.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.583 -177.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.505 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 35.6 mmtm -108.08 -16.43 14.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.628 -176.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.672 ' N ' ' O ' ' A' ' 27' ' ' LYS . 42.0 m-70 66.12 52.47 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.638 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.536 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -90.81 -163.65 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.51 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.614 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 18.9 mmt180 -83.85 -53.38 5.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.568 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 30.9 m -128.33 -78.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.645 178.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.601 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.04 56.65 2.15 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 178.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -76.09 172.95 11.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 0.0 110.582 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.556 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 62.9 m -79.88 151.91 29.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.556 -178.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.652 ' CG ' HD12 ' A' ' 48' ' ' ILE . 80.2 m-85 -147.37 143.31 27.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.586 178.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.56 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 20.0 m-85 -90.0 110.27 21.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.559 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.531 ' OD2' ' NE2' ' A' ' 46' ' ' GLN . 43.0 p-10 -82.46 -152.66 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.626 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.2 mp0 -73.74 -40.82 63.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.504 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -70.17 3.21 2.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.596 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.4 mmm-85 58.38 36.46 25.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.6 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.787 HD21 HE21 ' A' ' 46' ' ' GLN . 9.8 p-10 -112.48 146.42 38.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.628 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.56 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 7.0 mt -70.19 111.57 5.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.787 HE21 HD21 ' A' ' 44' ' ' ASN . 85.3 mt-30 -119.36 138.06 53.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.585 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.7 m -84.31 120.77 26.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.596 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.652 HD12 ' CG ' ' A' ' 38' ' ' PHE . 56.8 mt -102.82 92.48 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.574 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.18 111.66 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.585 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.885 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 16.5 p30 -98.81 125.29 44.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.522 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.643 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 58.8 m-85 -103.6 63.02 0.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.643 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.0 m -170.48 -172.86 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.571 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.406 ' N ' ' OE1' ' A' ' 53' ' ' GLU . 48.1 mp0 -95.88 79.63 3.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.576 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.0 p90 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.508 179.677 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.733 0.301 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.487 ' NZ ' ' SG ' ' A' ' 4' ' ' CYS . 16.7 pttp -66.33 -44.57 82.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.573 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.487 ' SG ' ' NZ ' ' A' ' 3' ' ' LYS . 22.4 m -99.06 -21.28 16.28 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -77.33 129.86 36.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -125.52 112.11 15.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.628 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 64.8 t -74.39 133.69 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.482 -176.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.627 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.6 m-85 -83.53 133.99 34.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.551 177.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -115.97 135.03 54.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.533 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.5 OUTLIER 67.91 59.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.605 179.143 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -131.86 151.88 79.31 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.509 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -65.53 124.12 12.39 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.749 2.299 . . . . 0.0 112.182 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.549 HG23 ' N ' ' A' ' 14' ' ' SER . 15.1 m -77.19 -43.51 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.515 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.549 ' N ' HG23 ' A' ' 13' ' ' VAL . 14.1 t -50.4 -38.95 45.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.601 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -72.43 -31.5 65.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.494 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.496 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -65.55 -7.57 15.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.621 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.436 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.7 pt20 -64.94 -8.36 15.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.503 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.2 mt -120.66 97.54 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.564 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.49 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.82 -11.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.629 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.603 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.4 m-20 -85.06 -40.47 16.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.626 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 18' ' ' LEU . 79.9 mm-40 -73.4 -44.26 58.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.636 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.601 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 20.4 t -56.42 -59.07 5.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.658 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.603 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.8 p-10 -58.3 -44.14 88.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.664 -178.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -60.48 -54.19 48.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.645 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -56.27 -41.78 76.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.783 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.627 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -53.68 -50.08 66.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.603 -179.791 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.663 ' O ' ' N ' ' A' ' 31' ' ' HIS . 46.3 mtpt -66.72 -50.34 63.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.656 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.5 mt -55.19 -28.47 53.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.645 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -94.69 -52.08 4.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.601 -178.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.5 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 60.6 mmtt -107.3 -16.84 14.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.566 -176.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.663 ' N ' ' O ' ' A' ' 27' ' ' LYS . 40.7 m-70 65.61 54.0 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.596 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.558 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -93.92 -162.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.516 178.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.566 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 18.8 mmt-85 -82.65 -55.12 4.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.577 178.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.443 ' OG ' ' OD2' ' A' ' 50' ' ' ASP . 19.1 p -129.3 -78.33 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.574 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.601 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.38 56.69 2.1 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 178.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -74.73 174.36 9.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.319 . . . . 0.0 110.594 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.575 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 71.5 m -81.39 151.77 27.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.471 -178.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.674 ' CG ' HD12 ' A' ' 48' ' ' ILE . 76.0 m-85 -147.02 152.44 38.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.5 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.513 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 14.9 m-85 -95.54 109.76 21.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.562 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 40' ' ' ASP . 51.6 p30 -77.19 -159.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.541 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.437 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 45.4 mp0 -67.95 -40.09 83.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.583 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -75.89 6.79 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.52 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.4 mmm-85 58.68 39.96 23.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.562 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.656 ' ND2' HE21 ' A' ' 46' ' ' GLN . 0.0 OUTLIER -110.7 139.19 46.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.517 ' N ' ' OD1' ' A' ' 44' ' ' ASN . 5.2 mt -67.32 113.03 4.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.593 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.656 HE21 ' ND2' ' A' ' 44' ' ' ASN . 90.8 mt-30 -124.57 142.38 51.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.578 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.5 m -83.95 121.26 27.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.597 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.674 HD12 ' CG ' ' A' ' 38' ' ' PHE . 48.0 mt -102.38 91.81 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.563 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.93 106.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.551 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.92 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 20.6 p30 -95.09 113.61 25.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.639 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.603 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 61.2 m-85 -91.82 60.37 3.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.582 178.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.603 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.9 m -168.58 -174.32 2.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.572 -178.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -97.99 80.48 2.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.529 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.514 ' CD1' ' OD2' ' A' ' 50' ' ' ASP . 46.0 p90 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.53 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.706 ' N ' ' HZ3' ' A' ' 5' ' ' LYS . 86.5 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.822 0.344 . . . . 0.0 110.564 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -59.72 -30.29 68.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.584 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.634 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 23.6 m -68.5 40.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 117.536 -1.221 . . . . 0.0 111.856 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.706 ' HZ3' ' N ' ' A' ' 2' ' ' ASP . 43.4 mttp -136.61 138.02 40.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 119.449 1.022 . . . . 0.0 110.553 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -136.49 117.59 14.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.584 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.432 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 43.9 t -75.65 137.56 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.549 -177.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.633 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.7 m-85 -86.48 122.69 30.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.621 177.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.432 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 52.7 mp0 -103.67 135.29 45.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.557 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.488 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.26 57.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.595 179.222 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -130.63 131.12 23.11 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.56 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -45.77 123.74 6.28 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.817 2.345 . . . . 0.0 112.204 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.542 HG23 ' N ' ' A' ' 14' ' ' SER . 24.2 m -76.19 -43.1 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.538 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.542 ' N ' HG23 ' A' ' 13' ' ' VAL . 86.8 p -51.04 -37.53 45.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.516 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.452 ' HZ2' ' HG3' ' A' ' 15' ' ' LYS . 56.8 mttp -70.78 -33.03 70.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.613 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.535 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 0.3 OUTLIER -66.16 -7.65 19.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.564 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.412 ' CG ' ' O ' ' A' ' 14' ' ' SER . 14.0 pt20 -65.63 -7.36 14.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.575 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.547 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.3 mt -121.84 98.92 6.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.585 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.501 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.94 -12.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.631 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.6 m-20 -84.75 -42.83 14.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.534 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -72.45 -43.65 63.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.582 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.58 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 39.2 t -54.98 -59.64 4.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.715 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.631 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.6 p-10 -59.27 -46.71 87.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.685 -178.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -58.67 -56.51 21.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.606 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -53.02 -40.75 64.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.747 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.633 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -56.53 -49.82 73.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.667 179.728 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.666 ' O ' ' N ' ' A' ' 31' ' ' HIS . 48.0 mtmt -63.61 -52.33 61.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.624 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.3 mt -55.35 -28.97 57.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.68 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -91.15 -53.27 4.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.627 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.505 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 34.0 mmtm -110.12 -15.69 13.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 -175.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.666 ' N ' ' O ' ' A' ' 27' ' ' LYS . 41.9 m-70 66.06 55.77 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.541 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -94.49 -168.18 1.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.472 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.585 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 12.0 mmt-85 -79.01 -52.87 7.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.609 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 33.6 m -129.0 -78.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.618 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.563 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.22 55.05 2.43 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -76.01 172.98 11.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.605 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.58 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 62.6 m -81.21 149.9 28.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.58 ' CG ' HD12 ' A' ' 48' ' ' ILE . 84.0 m-85 -145.54 151.1 37.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.606 178.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.427 ' CE1' HD23 ' A' ' 45' ' ' LEU . 10.7 m-85 -87.73 110.05 20.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.55 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.436 ' OD2' ' OE1' ' A' ' 46' ' ' GLN . 74.0 m-20 -80.94 -158.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.629 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -69.03 -42.4 76.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.52 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -75.55 4.04 8.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.54 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.3 mmm-85 59.25 39.24 22.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.486 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.725 HD21 ' NE2' ' A' ' 46' ' ' GLN . 15.8 p-10 -112.54 120.17 40.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.584 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.427 HD23 ' CE1' ' A' ' 39' ' ' TYR . 7.3 mt -45.65 110.74 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.636 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.725 ' NE2' HD21 ' A' ' 44' ' ' ASN . 1.9 mt-30 -121.78 140.79 51.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.55 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 84.4 m -82.46 122.45 28.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.622 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.58 HD12 ' CG ' ' A' ' 38' ' ' PHE . 47.8 mt -105.12 93.32 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.597 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.33 115.61 4.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.526 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.823 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 12.6 p30 -103.62 133.07 49.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.55 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.635 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 66.1 m-85 -110.48 63.63 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.616 178.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.635 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 9.1 m -169.18 -171.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.643 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -98.49 80.07 2.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.575 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.7 p90 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.554 179.675 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.782 0.325 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -61.67 -33.54 74.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.535 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.579 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 31.6 m -80.48 39.8 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 117.077 -1.439 . . . . 0.0 112.255 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -130.41 130.71 44.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 119.894 1.224 . . . . 0.0 110.584 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -126.15 111.97 15.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.592 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 7' ' ' VAL . 11.0 p -76.44 133.45 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.475 -177.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.625 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 3.0 m-85 -82.97 135.85 34.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.627 178.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.527 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 45.0 mp0 -114.4 132.21 56.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.61 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.485 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.7 OUTLIER 65.74 65.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 179.209 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -134.65 134.43 22.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.519 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -45.94 123.64 6.39 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.81 2.34 . . . . 0.0 112.179 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.542 HG23 ' N ' ' A' ' 14' ' ' SER . 29.2 m -77.13 -43.35 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.552 179.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.542 ' N ' HG23 ' A' ' 13' ' ' VAL . 85.0 p -50.69 -36.86 38.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.55 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -69.75 -32.19 70.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.536 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -7.57 17.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.564 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.414 ' CG ' ' O ' ' A' ' 14' ' ' SER . 11.8 pt20 -64.55 -6.13 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.7 mt -126.88 98.09 5.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.506 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.485 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.39 -11.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.59 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 97.5 m-20 -84.69 -39.51 18.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' LEU . 78.8 mm-40 -73.59 -45.7 51.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.648 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.594 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 21.5 t -55.02 -58.97 5.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.643 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.59 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 11.0 p-10 -58.95 -44.7 91.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.615 -178.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -59.31 -56.87 16.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.704 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -54.3 -41.64 69.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.709 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.625 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -54.0 -50.37 66.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.557 -179.758 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.682 ' O ' ' N ' ' A' ' 31' ' ' HIS . 15.0 mtpp -65.47 -51.38 60.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.716 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.4 mt -54.62 -28.64 48.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.653 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -93.6 -51.56 4.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.577 -177.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.494 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 57.2 mmtt -106.84 -19.76 13.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.659 -176.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.682 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.0 m80 70.79 48.52 0.41 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.603 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.566 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -88.47 -163.13 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.494 178.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.536 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 18.0 mmt180 -86.07 -53.26 5.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.574 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 39.3 m -128.1 -78.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.583 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.594 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 86.75 56.08 2.3 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -74.44 173.55 10.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.737 0.303 . . . . 0.0 110.646 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.555 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 65.4 m -81.67 151.62 27.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.586 -178.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.7 ' CG ' HD12 ' A' ' 48' ' ' ILE . 57.5 m-85 -143.0 148.57 36.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.67 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.491 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 16.6 m-85 -93.82 109.36 21.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.497 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -82.01 -161.34 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.549 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -68.58 -40.31 80.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.599 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.415 ' HZ2' ' HB3' ' A' ' 42' ' ' LYS . 15.8 mtpp -74.69 2.95 8.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.565 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.1 mmm-85 59.76 35.13 22.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.716 ' ND2' HE21 ' A' ' 46' ' ' GLN . 14.5 p-10 -107.96 120.69 43.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.55 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.491 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 6.0 mt -51.52 113.47 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.716 HE21 ' ND2' ' A' ' 44' ' ' ASN . 34.4 mm-40 -121.94 140.65 52.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.504 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 76.1 m -84.3 122.38 28.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.62 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.7 HD12 ' CG ' ' A' ' 38' ' ' PHE . 46.9 mt -103.96 91.75 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.6 106.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.561 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.916 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 19.0 p30 -92.65 121.36 34.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.547 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.64 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 46.7 m-85 -100.11 62.92 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.639 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.64 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 6.2 m -170.91 -172.86 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -94.58 80.36 3.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.576 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.597 179.739 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 51.1 p30 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.737 0.303 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -65.3 -27.45 68.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.557 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.661 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 18.6 m -68.08 37.17 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 117.325 -1.322 . . . . 0.0 112.168 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -132.19 136.02 46.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 119.641 1.109 . . . . 0.0 110.604 -178.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -135.94 116.08 13.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.602 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.5 p -76.39 137.78 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.542 -177.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.625 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.4 m-85 -84.8 135.51 34.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.569 178.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.524 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 36.0 mp0 -118.17 136.29 53.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.516 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 68.38 58.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 179.244 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -131.35 152.57 80.76 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.78 123.72 12.81 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.845 2.363 . . . . 0.0 112.166 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.55 HG23 ' N ' ' A' ' 14' ' ' SER . 34.1 m -77.62 -44.76 29.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.573 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.55 ' N ' HG23 ' A' ' 13' ' ' VAL . 22.6 m -51.0 -38.06 48.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.566 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -71.75 -30.33 65.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.591 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -60.17 -16.04 29.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.598 179.808 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.446 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.5 pt20 -63.81 -0.69 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.516 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.574 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.5 mt -127.01 89.81 3.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.527 179.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.448 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -43.73 -14.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.618 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.597 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 98.6 m-20 -85.26 -36.22 21.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.651 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 18' ' ' LEU . 85.9 mm-40 -75.62 -49.28 18.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.59 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 2.7 t -56.46 -57.68 11.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.726 -178.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.597 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 21.6 p-10 -56.11 -43.27 77.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.718 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -59.78 -47.27 86.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.678 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -63.8 -41.91 97.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.7 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.625 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -53.69 -50.58 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.638 -179.689 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.622 ' O ' ' N ' ' A' ' 31' ' ' HIS . 43.0 mtpt -65.47 -51.65 58.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.665 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.3 mt -56.09 -28.5 57.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.656 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -92.48 -54.39 3.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.604 -177.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.503 ' C ' ' CG ' ' A' ' 31' ' ' HIS . 53.2 mmtt -104.63 -20.22 13.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.574 -176.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.622 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.1 m80 73.14 48.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.642 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.554 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -87.72 -165.53 1.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.516 178.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.611 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 20.0 mmt-85 -83.95 -53.43 5.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.561 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.3 m -127.88 -75.97 0.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.66 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.736 ' O ' ' SG ' ' A' ' 47' ' ' CYS . . . 86.51 61.15 1.65 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -79.61 168.12 19.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.719 0.295 . . . . 0.0 110.629 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.578 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 73.5 m -81.02 147.76 30.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.499 -178.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.713 ' CG ' HD12 ' A' ' 48' ' ' ILE . 65.0 m-85 -139.68 148.18 42.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.667 178.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.456 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 15.8 m-85 -92.14 109.75 21.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.518 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.428 ' OD2' ' OE1' ' A' ' 46' ' ' GLN . 88.0 m-20 -85.87 -161.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.583 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -72.33 -39.62 68.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.596 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -71.07 2.34 4.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.615 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.8 mmm-85 58.86 29.7 19.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.705 HD21 ' NE2' ' A' ' 46' ' ' GLN . 17.5 p-10 -109.2 114.97 29.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.456 HD22 ' CZ ' ' A' ' 39' ' ' TYR . 5.8 mt -46.02 116.83 1.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.705 ' NE2' HD21 ' A' ' 44' ' ' ASN . 3.2 mt-30 -122.01 142.12 50.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.736 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -86.72 124.76 33.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.553 179.561 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.713 HD12 ' CG ' ' A' ' 38' ' ' PHE . 63.0 mt -102.35 91.01 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.495 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.79 114.22 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.567 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.836 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 11.0 p30 -102.63 133.05 48.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.639 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 61.4 m-85 -110.82 63.07 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.581 178.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.639 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 10.0 m -169.07 -171.66 1.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.545 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -100.74 80.04 2.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.577 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.422 ' CD2' ' OD2' ' A' ' 50' ' ' ASP . 33.3 p90 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.525 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.738 0.304 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -61.89 -30.33 70.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.507 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.637 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 24.4 m -75.79 40.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 117.266 -1.35 . . . . 0.0 111.845 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -130.78 132.41 45.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 119.715 1.143 . . . . 0.0 110.561 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -128.45 112.48 14.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.622 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.431 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 41.3 t -75.11 135.97 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.523 -177.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.618 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.8 m-85 -87.63 126.33 34.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 178.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 7' ' ' VAL . 50.8 mp0 -107.73 134.34 50.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.645 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.469 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.53 59.47 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.592 179.01 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -131.76 132.63 23.43 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.505 178.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -45.94 124.23 7.01 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.816 2.344 . . . . 0.0 112.192 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.538 HG23 ' N ' ' A' ' 14' ' ' SER . 17.4 m -76.89 -43.24 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.538 ' N ' HG23 ' A' ' 13' ' ' VAL . 28.1 m -50.22 -37.46 35.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -69.18 -31.32 69.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.505 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -7.35 21.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.45 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.4 pt20 -64.37 -7.07 8.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.535 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.565 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.8 mt -126.45 98.32 5.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.494 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.94 -10.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.605 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 97.7 m-20 -84.7 -40.19 17.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 18' ' ' LEU . 76.7 mm-40 -73.56 -45.62 52.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.639 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.588 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 19.0 t -54.84 -59.36 4.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.597 -179.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.605 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.6 p-10 -57.86 -46.54 84.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.686 -178.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -58.91 -57.66 12.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.67 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -52.51 -40.08 62.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.706 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.618 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -55.21 -49.45 71.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.662 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.665 ' O ' ' N ' ' A' ' 31' ' ' HIS . 36.9 mtmt -65.32 -50.89 63.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.706 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.1 mt -54.82 -28.33 48.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.658 -178.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -94.09 -52.13 4.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.583 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.498 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 35.3 mmtm -109.03 -15.32 14.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.583 -175.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.665 ' N ' ' O ' ' A' ' 27' ' ' LYS . 39.9 m-70 65.04 53.67 1.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.638 179.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.561 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -93.53 -169.22 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.542 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.581 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 17.4 mmt85 -77.32 -53.45 7.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.567 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.464 ' OG ' ' OD2' ' A' ' 50' ' ' ASP . 5.8 p -130.12 -77.8 0.54 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.588 178.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.588 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.4 54.81 2.46 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -73.4 173.79 9.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.773 0.321 . . . . 0.0 110.676 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.576 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 63.1 m -82.72 151.42 26.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.561 -178.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.682 ' CG ' HD12 ' A' ' 48' ' ' ILE . 56.5 m-85 -142.33 144.78 33.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.646 177.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.462 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 17.7 m-85 -90.96 109.64 20.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.581 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.529 ' OD2' ' NE2' ' A' ' 46' ' ' GLN . 81.8 m-20 -88.22 -158.65 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.582 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -72.38 -39.63 67.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.546 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -71.75 3.92 3.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.553 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.7 mtm180 57.32 18.25 4.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.605 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.424 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 17.9 p-10 -97.78 114.87 27.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.581 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.462 HD22 ' CZ ' ' A' ' 39' ' ' TYR . 5.9 mt -46.31 118.72 2.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.569 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.529 ' NE2' ' OD2' ' A' ' 40' ' ' ASP . 12.6 mt-30 -121.77 139.65 53.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.492 179.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 78.4 m -84.66 123.05 29.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.607 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.682 HD12 ' CG ' ' A' ' 38' ' ' PHE . 42.9 mt -103.94 91.54 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.558 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.29 107.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.556 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.857 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 17.1 p30 -96.62 127.55 42.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.522 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.641 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 62.4 m-85 -104.73 62.82 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.667 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.641 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 8.5 m -169.46 -173.2 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.563 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -98.39 79.81 2.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.647 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.0 p90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.563 179.69 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.815 0.34 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -70.81 -36.81 73.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.699 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 16.1 m -90.21 40.4 1.01 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 117.073 -1.442 . . . . 0.0 111.429 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -133.59 134.68 43.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 119.922 1.237 . . . . 0.0 110.599 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -134.07 114.07 12.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.55 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.9 t -74.28 137.15 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.514 -177.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.623 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.7 m-85 -87.52 125.14 34.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.62 177.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -106.03 135.87 46.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.59 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.472 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 66.1 58.16 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.573 179.21 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -130.41 131.44 23.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.52 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -46.02 123.97 6.84 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.83 2.353 . . . . 0.0 112.192 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.527 HG23 ' N ' ' A' ' 14' ' ' SER . 32.9 m -76.73 -42.8 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.553 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.527 ' N ' HG23 ' A' ' 13' ' ' VAL . 24.6 m -50.05 -37.97 35.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.544 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -70.77 -31.8 68.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.509 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -7.07 17.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.635 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.457 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.4 pt20 -64.8 -7.87 12.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.554 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.5 mt -123.47 98.74 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.517 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.494 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -46.01 -11.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.617 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.608 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 100.0 m-20 -84.93 -41.22 16.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -72.85 -44.3 61.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.628 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.585 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 28.1 t -55.63 -59.38 4.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.643 -179.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.608 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.5 p-10 -58.88 -45.82 89.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.66 -178.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -58.54 -57.58 12.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.696 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -53.5 -41.21 66.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.712 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.623 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -54.55 -50.58 67.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.725 -179.808 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.69 ' O ' ' N ' ' A' ' 31' ' ' HIS . 45.5 mtpt -64.66 -51.96 59.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.637 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.5 mt -54.72 -28.24 46.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.642 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -91.99 -52.77 4.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.552 -178.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.499 ' C ' ' CG ' ' A' ' 31' ' ' HIS . 55.6 mmtt -107.67 -19.44 13.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.605 -176.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.69 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.0 m80 72.51 47.59 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.619 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.574 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -87.19 -164.45 1.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.527 178.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.533 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 11.7 mmt-85 -85.88 -52.78 5.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.563 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 36.2 m -127.7 -78.52 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.67 178.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.578 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 86.25 55.77 2.42 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 178.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -73.93 173.64 9.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 0.0 110.673 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.585 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 68.7 m -81.57 152.01 27.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.509 -178.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.69 ' CG ' HD12 ' A' ' 48' ' ' ILE . 64.6 m-85 -144.32 150.03 37.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.6 177.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.478 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 16.7 m-85 -95.47 108.71 20.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.509 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -80.19 -157.68 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.573 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -69.13 -39.67 78.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.565 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -76.55 7.89 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.569 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 59.03 17.9 5.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.606 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.64 ' ND2' ' NE2' ' A' ' 46' ' ' GLN . 12.4 p-10 -88.33 133.76 33.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.652 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.478 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 6.1 mt -66.13 116.6 7.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.587 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.64 ' NE2' ' ND2' ' A' ' 44' ' ' ASN . 97.1 mm-40 -126.33 142.97 51.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.568 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.8 m -85.44 124.21 31.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.594 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.69 HD12 ' CG ' ' A' ' 38' ' ' PHE . 51.5 mt -103.67 91.49 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.556 179.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.44 110.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.597 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.881 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 17.5 p30 -98.14 125.01 42.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.699 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 54.2 m-85 -103.23 61.04 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.636 178.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -156.92 -175.65 5.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.636 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.8 mp0 -88.28 81.9 7.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.546 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.435 ' CE2' ' OG ' ' A' ' 34' ' ' SER . 43.1 p90 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.542 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.431 ' N ' ' HZ3' ' A' ' 5' ' ' LYS . 89.2 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.825 0.345 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -60.57 -33.81 73.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.552 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.617 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 27.6 m -75.55 40.7 0.18 Allowed 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 117.247 -1.359 . . . . 0.0 112.11 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.431 ' HZ3' ' N ' ' A' ' 2' ' ' ASP . 35.8 mmtm -130.08 130.29 44.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 119.776 1.171 . . . . 0.0 110.55 -178.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -126.27 112.42 15.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.64 177.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.433 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 45.4 t -75.69 136.45 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.491 -177.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.611 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.9 m-85 -87.81 125.48 34.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.619 178.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 7' ' ' VAL . 50.9 mp0 -106.83 135.1 48.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.607 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.472 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.7 OUTLIER 66.35 59.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.559 179.225 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -131.58 132.65 23.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.571 178.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -45.97 123.88 6.68 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.858 2.372 . . . . 0.0 112.116 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.55 HG23 ' N ' ' A' ' 14' ' ' SER . 22.7 m -76.39 -43.52 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.606 179.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.55 ' N ' HG23 ' A' ' 13' ' ' VAL . 22.9 t -49.74 -37.73 30.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.58 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -68.71 -31.16 70.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.53 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -7.22 22.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.446 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.2 pt20 -64.82 -7.1 9.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.524 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.5 mt -127.15 98.96 5.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.522 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.483 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.71 -11.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.606 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.607 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.8 m-20 -83.75 -40.08 19.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.582 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 18' ' ' LEU . 80.6 mm-40 -74.03 -45.12 51.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.557 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.583 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 34.7 t -54.33 -58.95 5.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.692 -179.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.607 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 11.0 p-10 -59.42 -47.42 85.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.681 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -56.71 -58.67 7.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.665 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -52.49 -40.4 62.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.731 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.611 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.92 -49.3 71.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.654 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.711 ' O ' ' N ' ' A' ' 31' ' ' HIS . 27.9 mttp -63.74 -54.04 41.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.713 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.1 mt -54.66 -28.83 50.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.719 -177.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -90.41 -49.26 6.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.61 -177.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.495 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 63.7 mmtt -114.11 -20.4 10.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.644 -175.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.711 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.2 m80 71.55 57.45 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.624 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.611 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -97.21 -167.81 1.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.503 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.536 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 12.2 mmm180 -83.35 -51.45 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.614 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.455 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 28.4 m -126.66 -78.39 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.586 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.583 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 86.82 53.84 2.77 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -75.06 171.54 13.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 110.673 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 68.0 m -81.95 151.61 27.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.538 -178.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.735 ' CG ' HD12 ' A' ' 48' ' ' ILE . 48.1 m-85 -141.19 147.53 38.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.549 177.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.475 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 18.2 m-85 -96.06 108.78 21.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.52 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -85.53 -160.02 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -69.16 -39.48 78.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.62 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -71.98 4.38 3.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.631 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 58.67 18.23 5.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.575 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.769 HD21 HE21 ' A' ' 46' ' ' GLN . 12.0 p-10 -94.18 130.35 40.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.59 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.475 HD22 ' CZ ' ' A' ' 39' ' ' TYR . 4.7 mt -61.99 117.88 6.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.613 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.769 HE21 HD21 ' A' ' 44' ' ' ASN . 71.4 mt-30 -122.03 138.3 54.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.634 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 69.5 m -83.43 122.43 28.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.735 HD12 ' CG ' ' A' ' 38' ' ' PHE . 41.2 mt -103.24 92.41 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.0 104.23 0.35 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.569 179.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.899 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 21.0 p30 -90.56 119.89 31.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.484 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.625 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 43.9 m-85 -97.67 63.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.625 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 6.0 m -170.13 -174.82 1.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.632 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mp0 -82.21 80.02 8.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.603 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.559 179.392 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.84 0.352 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -72.16 -15.66 61.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.627 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.622 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 32.5 m -74.96 42.95 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 117.032 -1.461 . . . . 0.0 112.054 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.488 ' NZ ' ' CB ' ' A' ' 5' ' ' LYS . 4.9 mtpm? -137.73 137.38 38.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 119.914 1.234 . . . . 0.0 110.589 -178.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.473 ' HB2' ' HZ2' ' A' ' 6' ' ' LYS . 6.9 mtpm? -133.72 116.92 16.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.593 178.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.3 t -74.48 137.22 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.545 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.629 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.8 m-85 -87.17 124.11 32.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.566 177.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -105.98 135.27 47.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.481 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.32 57.7 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.593 179.135 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -130.87 135.69 27.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.522 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -45.71 124.29 6.76 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.784 2.323 . . . . 0.0 112.192 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.457 HG22 ' OD1' ' A' ' 44' ' ' ASN . 11.4 t -76.8 -46.5 30.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.562 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.437 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 22.8 t -49.72 -37.03 27.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.578 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -66.22 -31.13 71.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.569 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -10.88 34.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.585 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.437 ' OE1' ' O ' ' A' ' 14' ' ' SER . 9.1 pt20 -64.55 -3.34 3.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.548 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.562 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.8 mt -129.67 96.28 4.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.487 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.501 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.77 -11.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.561 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.617 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 99.6 m-20 -84.24 -41.44 16.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.561 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -72.91 -44.1 61.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.56 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.566 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 35.3 t -54.91 -59.26 4.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.702 -179.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.617 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 12.4 p-10 -59.75 -44.12 93.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.638 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -59.75 -57.41 13.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.669 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -53.57 -42.18 67.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.678 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.629 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -53.49 -49.76 66.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.753 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.668 ' O ' ' N ' ' A' ' 31' ' ' HIS . 46.7 mtpt -66.12 -50.29 64.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.687 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.9 mt -54.89 -28.02 47.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.613 -178.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -94.62 -52.0 4.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.622 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.512 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 55.1 mmtt -107.62 -17.02 14.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.618 -176.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.668 ' N ' ' O ' ' A' ' 27' ' ' LYS . 42.0 m-70 66.28 50.59 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.593 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.528 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -88.61 -163.7 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.524 178.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.576 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 30.6 mmt-85 -83.86 -53.15 5.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.62 178.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 36.9 m -128.84 -78.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.559 178.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.566 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.1 55.78 2.31 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -75.96 173.9 10.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 110.667 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.539 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 85.3 m -81.74 149.92 28.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.557 -178.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.539 ' CG ' HD12 ' A' ' 48' ' ' ILE . 88.1 m-85 -146.25 146.38 30.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.561 177.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.505 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 13.2 m-85 -89.78 111.33 22.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.584 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.402 ' HB2' HE21 ' A' ' 46' ' ' GLN . 82.4 m-20 -90.82 -160.23 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.624 179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -82.73 11.04 6.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.59 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -111.51 3.75 18.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 56.05 17.15 2.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.564 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.602 ' OD1' ' C ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -114.0 120.7 41.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.643 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.505 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 9.4 mt -47.66 122.75 5.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.537 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 44' ' ' ASN . 17.5 mt-30 -125.17 141.17 52.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.53 179.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.0 m -85.33 123.8 31.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.644 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.539 HD12 ' CG ' ' A' ' 38' ' ' PHE . 49.7 mt -106.51 93.59 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.678 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.67 111.72 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.558 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.893 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 17.2 p30 -97.73 124.91 42.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.612 179.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.648 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 48.2 m-85 -103.38 62.62 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.63 179.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.648 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.9 m -169.93 -173.6 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.638 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -95.45 79.75 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.513 179.645 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.826 0.346 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -59.82 -43.2 94.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.593 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.57 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 37.2 m -128.16 39.44 3.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 117.009 -1.472 . . . . 0.0 111.867 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -132.15 138.71 48.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 119.908 1.231 . . . . 0.0 110.599 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -135.52 115.93 13.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.574 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.43 ' O ' ' OE2' ' A' ' 9' ' ' GLU . 22.9 t -75.93 138.16 21.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.51 -177.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.627 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 2.8 m-85 -87.19 126.29 34.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.584 177.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.434 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 52.6 mp0 -103.7 131.68 50.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.595 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 61.84 73.57 0.47 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.589 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -139.12 144.14 39.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.494 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -46.16 123.4 6.39 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.877 2.385 . . . . 0.0 112.248 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.617 HG13 ' N ' ' A' ' 14' ' ' SER . 7.4 p -78.94 -48.88 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.51 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.617 ' N ' HG13 ' A' ' 13' ' ' VAL . 90.1 p -50.32 -35.29 26.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.516 -178.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.6 mmtm -67.76 -30.76 70.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.447 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -15.01 61.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.572 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.411 ' CG ' ' O ' ' A' ' 14' ' ' SER . 11.9 pt20 -64.75 -1.89 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.533 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.585 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.9 mt -131.95 96.54 3.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.538 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.447 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.04 -12.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.627 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.614 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 98.6 m-20 -82.06 -39.88 22.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.604 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' LEU . 92.1 mm-40 -74.54 -46.6 37.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.624 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.592 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 43.3 t -52.54 -59.44 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.64 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.614 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 14.5 p-10 -59.67 -46.74 88.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.747 -178.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -56.95 -59.06 5.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.714 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -52.61 -41.9 64.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.683 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.627 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.72 -48.85 71.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.637 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.685 ' O ' ' N ' ' A' ' 31' ' ' HIS . 30.5 mttp -64.93 -52.91 53.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.597 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.7 mt -54.67 -28.98 51.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.615 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -92.35 -50.22 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.629 -177.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.507 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 58.2 mmtt -112.23 -18.37 12.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.617 -176.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.685 ' N ' ' O ' ' A' ' 27' ' ' LYS . 42.0 m-70 66.6 60.11 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.602 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.562 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -96.98 -166.65 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.526 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.566 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 13.1 mmt85 -84.16 -49.8 8.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.619 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 38.0 m -127.16 -79.06 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.592 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 87.87 55.23 2.31 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -78.61 171.98 14.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.658 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 83.0 m -82.45 150.87 26.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.546 -178.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.662 ' CG ' HD12 ' A' ' 48' ' ' ILE . 62.3 m-85 -142.32 146.82 35.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.632 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.517 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 14.8 m-85 -92.71 109.69 21.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.539 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.43 ' OD2' ' OE1' ' A' ' 46' ' ' GLN . 69.6 m-20 -85.71 -150.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.58 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.664 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 1.9 pm0 -80.13 -40.94 26.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.594 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -70.93 3.14 3.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.605 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 mmm-85 57.04 32.24 21.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.555 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.702 HD21 ' NE2' ' A' ' 46' ' ' GLN . 17.2 p-10 -110.21 116.79 32.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.58 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.517 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 10.3 mt -46.14 114.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.518 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.702 ' NE2' HD21 ' A' ' 44' ' ' ASN . 3.1 mt-30 -119.16 139.01 52.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 65.3 m -83.57 123.57 29.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.685 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.662 HD12 ' CG ' ' A' ' 38' ' ' PHE . 37.9 mt -105.97 94.38 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.56 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.7 111.33 2.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.583 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.863 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 17.5 p30 -98.45 127.63 44.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.509 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.65 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 58.8 m-85 -105.62 62.99 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.559 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.65 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 7.4 m -170.45 -172.63 1.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.552 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -93.22 79.88 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.615 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.542 179.692 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.783 0.325 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -58.63 -34.34 71.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.554 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 35.2 m -80.95 39.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 117.103 -1.427 . . . . 0.0 112.446 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -129.59 131.22 46.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 119.824 1.193 . . . . 0.0 110.568 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -126.17 112.07 15.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.609 177.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.0 t -75.65 135.9 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.481 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.627 ' CE1' ' SG ' ' A' ' 26' ' ' CYS . 3.0 m-85 -86.38 135.47 33.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.598 177.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -119.02 135.46 54.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.6 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.523 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.6 OUTLIER 67.72 60.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.604 179.432 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -132.04 153.23 81.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.51 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.88 123.87 13.43 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.774 2.316 . . . . 0.0 112.26 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.585 HG13 ' N ' ' A' ' 14' ' ' SER . 9.9 p -76.49 -46.19 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.533 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.585 ' N ' HG13 ' A' ' 13' ' ' VAL . 24.6 m -51.44 -35.69 40.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.534 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.0 mmtm -66.22 -32.73 74.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.515 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -10.58 28.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.539 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' A' ' 14' ' ' SER . 9.6 pt20 -64.01 -4.46 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.577 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.593 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.9 mt -130.99 96.59 4.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.62 179.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.47 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.26 -12.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.588 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.6 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 95.2 m-20 -83.05 -38.86 21.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 18' ' ' LEU . 91.2 mm-40 -74.31 -46.84 38.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.594 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.583 ' SG ' ' O ' ' A' ' 35' ' ' GLY . 34.2 t -53.68 -58.68 6.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.709 -179.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.6 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 12.4 p-10 -59.53 -44.66 93.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.624 -178.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -59.56 -56.47 21.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.688 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.74 -42.55 68.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.718 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.627 ' SG ' ' CE1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -54.14 -50.41 67.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.655 -179.816 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.66 ' O ' ' N ' ' A' ' 31' ' ' HIS . 25.1 mtmt -66.21 -49.59 66.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.697 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.8 mt -54.93 -29.11 55.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.616 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -96.4 -50.1 4.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.586 -177.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.505 ' CG ' ' OH ' ' A' ' 8' ' ' TYR . 56.6 mmtt -107.05 -16.82 14.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.584 -176.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.66 ' N ' ' O ' ' A' ' 27' ' ' LYS . 37.1 m-70 63.83 49.82 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.613 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.507 ' H ' ' HA ' ' A' ' 27' ' ' LYS . . . -88.68 -163.47 0.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.546 178.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.573 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 18.1 mmm180 -82.64 -54.22 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.553 179.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 23' ' ' ASN . 33.4 m -128.78 -78.3 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.603 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.583 ' O ' ' SG ' ' A' ' 22' ' ' CYS . . . 88.03 56.43 2.07 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 178.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -76.47 174.3 10.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.575 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.524 ' SG ' ' HB2' ' A' ' 22' ' ' CYS . 71.1 m -82.76 150.34 26.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.543 -178.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.585 ' CG ' HD12 ' A' ' 48' ' ' ILE . 83.4 m-85 -145.43 141.45 28.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.601 177.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.498 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 14.0 m-85 -85.46 120.08 26.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 -178.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.452 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 54.3 p-10 -97.46 -151.26 0.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.611 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.43 ' OE1' ' N ' ' A' ' 41' ' ' GLU . 52.6 mp0 -79.4 -39.74 31.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -70.15 3.39 2.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.599 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 56.31 30.12 16.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.528 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.806 HD21 HE21 ' A' ' 46' ' ' GLN . 12.9 p-10 -113.04 120.21 40.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 179.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.498 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 10.9 mt -46.46 117.08 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.563 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.806 HE21 HD21 ' A' ' 44' ' ' ASN . 19.2 mt-30 -118.04 140.06 50.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.594 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 66.9 m -86.16 123.1 31.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.568 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.585 HD12 ' CG ' ' A' ' 38' ' ' PHE . 46.6 mt -107.32 93.87 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.35 104.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.523 179.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.897 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 21.7 p30 -88.43 113.96 24.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.592 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.653 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 32.9 m-85 -92.97 62.31 3.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.631 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.653 ' SG ' ' O ' ' A' ' 51' ' ' TYR . 5.1 m -172.16 -174.51 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.558 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -89.84 80.18 6.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.587 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.575 179.763 . . . . . . . . 0 0 . 1 stop_ save_