data_6oqj_residue ############################ # Computer software used # ############################ 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 6oqj _Structure_validation_residue.Date_analyzed 2019-07-19 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 ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.235 0.319 0 CA-C-O 120.577 0.227 . . . . 15.0 110.453 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -133.59 101.53 5.16 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.368 -0.378 . . . . 15.0 110.971 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -153.34 173.35 15.72 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.905 -0.405 . . . . 15.0 109.905 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.2 m -144.31 155.76 43.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.365 -0.379 . . . . 15.0 110.547 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 19.8 mmt -114.78 161.7 17.84 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.837 0.351 . . . . 15.0 111.083 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -88.14 97.8 11.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.881 -0.599 . . . . 15.0 111.376 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.32 -116.89 3.87 Favored Glycine 0 C--N 1.331 0.299 0 CA-C-N 115.58 -0.736 . . . . 15.0 113.871 178.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.516 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -66.4 -40.56 89.71 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.998 0.428 . . . . 15.0 111.011 -179.515 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.53 53.57 4.31 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.685 -0.769 . . . . 15.0 112.594 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -76.87 -18.59 58.24 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.312 -0.625 . . . . 15.0 109.312 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -101.02 22.23 12.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.123 -0.944 . . . . 15.0 109.994 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -70.75 118.82 14.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.81 -0.632 . . . . 15.0 111.088 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -117.89 10.62 13.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.939 -0.573 . . . . 15.0 109.789 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.53 149.83 42.61 Favored Glycine 0 C--O 1.237 0.309 0 CA-C-N 115.686 -0.688 . . . . 15.0 113.034 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -90.45 113.3 25.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.265 0.555 . . . . 15.0 111.556 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.2 tt -163.9 131.63 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.407 -0.815 . . . . 15.0 109.311 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.4 p -122.87 31.29 6.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.909 0.385 . . . . 15.0 111.247 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -133.6 147.16 51.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.263 -0.426 . . . . 15.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.41 HG23 ' HG ' ' A' ' 68' ' ' CYS . 44.6 p -83.65 -177.94 6.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.994 -0.548 . . . . 15.0 110.502 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -73.84 -13.61 60.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.245 0.545 . . . . 15.0 109.899 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.71 3.88 47.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.588 -0.733 . . . . 15.0 110.637 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.8 23.92 71.09 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.662 -0.699 . . . . 15.0 112.775 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.8 mt -90.02 150.39 22.13 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.133 -0.321 . . . . 15.0 110.133 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -76.48 134.18 39.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.585 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.681 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 33.0 t -86.7 142.16 28.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.22 0.533 . . . . 15.0 111.243 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -86.76 146.43 26.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.505 -0.771 . . . . 15.0 109.657 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.87 139.31 55.16 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.004 -0.369 . . . . 15.0 110.004 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -65.19 -29.68 70.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.418 -0.356 . . . . 15.0 111.395 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -99.71 13.88 32.09 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.549 -0.296 . . . . 15.0 111.383 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.0 178.78 8.21 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.901 -0.407 . . . . 15.0 109.901 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -141.9 38.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.451 -0.5 . . . . 15.0 112.199 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.55 158.81 81.28 Favored Pre-proline 0 C--O 1.236 0.374 0 N-CA-C 105.485 -2.043 . . . . 15.0 105.485 175.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -72.96 96.39 0.86 Allowed 'Trans proline' 0 N--CA 1.455 -0.774 0 CA-C-N 122.026 1.759 . . . . 15.0 112.255 -177.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.28 162.44 24.71 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 113.676 -1.602 . . . . 15.0 110.185 177.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.69 112.16 25.02 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.182 -1.414 . . . . 15.0 107.182 174.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 -170.11 165.69 9.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.187 0.518 . . . . 15.0 111.91 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -137.29 21.6 3.27 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 110.867 -0.893 . . . . 15.0 110.867 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -88.53 78.31 7.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.467 -0.367 . . . . 15.0 110.957 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.9 mm -84.46 127.96 63.66 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.827 -0.435 . . . . 15.0 109.827 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.17 -33.03 52.51 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.963 2.442 . . . . 15.0 113.146 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.03 -20.09 64.96 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.416 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -83.36 -23.02 32.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 15.0 110.568 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -133.22 63.86 67.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 15.0 110.81 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.79 -14.97 26.93 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 121.861 1.707 . . . . 15.0 111.363 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -75.38 -21.91 57.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.313 -0.858 . . . . 15.0 111.233 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -96.65 6.17 49.24 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.947 -0.301 . . . . 15.0 111.535 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.6 t30 51.56 61.92 2.98 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.842 0.682 . . . . 15.0 112.842 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.6 mp -84.79 109.82 18.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.521 -0.918 . . . . 15.0 108.521 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -141.33 146.67 36.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.56 0.219 . . . . 15.0 110.947 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt 53.54 -134.74 1.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.951 0.782 . . . . 15.0 111.371 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -124.87 39.55 3.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.363 0.602 . . . . 15.0 110.333 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -91.68 141.73 28.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.014 -0.539 . . . . 15.0 110.382 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.5 t -59.52 131.02 49.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 15.0 111.085 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -138.75 168.22 20.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.896 -0.593 . . . . 15.0 109.794 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -138.69 88.35 14.14 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-O 120.895 0.379 . . . . 15.0 110.378 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -85.05 -5.52 9.58 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.497 2.131 . . . . 15.0 112.792 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.429 ' HA ' ' HD3' ' B' ' 129' ' ' LYS . 33.3 t70 -96.98 -24.13 15.96 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.157 -0.217 . . . . 15.0 111.397 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.4 mtm180 70.57 34.25 2.19 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.411 0.624 . . . . 15.0 109.93 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -80.91 -167.99 1.62 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.197 -0.91 . . . . 15.0 110.893 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.1 mt -47.68 -48.46 29.13 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.215 0.821 . . . . 15.0 113.215 -178.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -158.89 153.55 20.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 C-N-CA 120.687 -0.405 . . . . 15.0 111.29 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.516 ' HD3' ' O ' ' A' ' 12' ' ' SER . 51.9 Cg_exo -54.45 146.22 53.37 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.074 2.516 . . . . 15.0 113.563 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 -138.39 177.81 7.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.106 -0.952 . . . . 15.0 109.402 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.681 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 4.7 p -163.25 154.91 17.45 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.477 -0.329 . . . . 15.0 110.771 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -78.71 145.54 34.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.211 -0.45 . . . . 15.0 109.952 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 p -100.42 154.68 18.32 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.878 0.37 . . . . 15.0 111.621 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.49 8.15 29.46 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.196 0.522 . . . . 15.0 110.792 178.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -103.94 122.95 42.66 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.035 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -60.46 -16.64 43.16 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.987 2.458 . . . . 15.0 113.603 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.38 -17.89 59.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.564 0.221 . . . . 15.0 110.752 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -130.5 152.82 49.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.878 0.371 . . . . 15.0 110.899 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -99.02 -63.36 1.13 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.228 0.537 . . . . 15.0 110.042 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 32.4 p-90 -147.39 144.09 28.44 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.57 -0.741 . . . . 15.0 109.169 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -130.8 155.02 47.39 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.772 0.32 . . . . 15.0 110.363 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -82.95 161.88 21.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.828 -0.624 . . . . 15.0 110.946 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 5.9 t -117.32 139.46 50.81 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.955 -0.758 . . . . 15.0 108.955 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -100.91 110.94 23.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.245 -0.434 . . . . 15.0 111.125 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.98 135.32 26.62 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.883 -0.598 . . . . 15.0 110.017 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -58.88 123.4 13.43 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.648 2.232 . . . . 15.0 112.145 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.83 156.05 18.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.414 -0.357 . . . . 15.0 110.61 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 66.7 m -67.62 151.07 47.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.216 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.54 -49.13 70.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.133 0.492 . . . . 15.0 109.803 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.693 -0.67 . . . . 15.0 109.724 179.196 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.849 0 N-CA-C 112.007 -0.437 . . . . 15.0 112.007 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 2.9 t -136.58 -167.58 2.09 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.698 -0.482 . . . . 15.0 109.698 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 3.8 p -82.72 91.35 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.928 0.871 . . . . 15.0 109.887 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.33 22.32 14.35 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.558 -0.746 . . . . 15.0 110.594 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -63.35 -40.15 96.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.794 -0.639 . . . . 15.0 111.261 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -102.54 49.64 0.84 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.078 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -46.07 85.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.698 -0.683 . . . . 15.0 112.378 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.64 -45.76 74.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 15.0 111.42 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.7 -48.41 80.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.935 -0.575 . . . . 15.0 111.029 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.38 98.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.932 -0.576 . . . . 15.0 111.18 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -61.23 -45.73 93.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.472 -0.331 . . . . 15.0 110.975 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 44.6 mt -60.13 -47.88 84.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.616 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -65.58 -38.7 90.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.941 -0.572 . . . . 15.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -65.32 -47.9 74.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.46 -0.336 . . . . 15.0 110.955 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 43.8 tp -57.91 -39.59 78.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 15.0 110.191 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -68.75 -43.99 74.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.811 -0.631 . . . . 15.0 110.178 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' ASN . . . . . 0.463 ' O ' ' HB2' ' B' ' 121' ' ' GLU . 1.8 t30 -62.18 -43.53 98.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.851 -0.613 . . . . 15.0 110.741 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.48 -42.96 98.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.985 0.421 . . . . 15.0 111.204 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.2 -44.12 76.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.386 -0.37 . . . . 15.0 111.18 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.37 -19.75 57.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.197 -0.456 . . . . 15.0 112.206 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' B' ' 117' ' ' ASN . 19.6 tt0 -57.43 -20.93 33.35 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.244 0.461 . . . . 15.0 112.244 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -58.42 -67.54 0.34 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.164 -0.471 . . . . 15.0 111.423 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -136.53 -26.86 1.08 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.99 0.424 . . . . 15.0 111.395 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -81.6 22.94 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.129 -0.487 . . . . 15.0 111.451 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 25.6 tp -64.51 -31.83 73.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.986 0.422 . . . . 15.0 110.425 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.416 ' CD ' ' HZ3' ' B' ' 129' ' ' LYS . 67.2 mm-40 -66.12 -41.4 90.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.902 -0.59 . . . . 15.0 109.61 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 37.2 ttp85 -72.12 -41.23 67.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.645 -0.707 . . . . 15.0 110.231 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -57.61 -48.86 78.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.601 -0.727 . . . . 15.0 111.099 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.429 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -61.65 -32.28 72.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.963 -0.562 . . . . 15.0 111.051 -178.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 29.4 m -79.91 -41.04 26.92 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.853 0.359 . . . . 15.0 110.866 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -61.52 -49.31 77.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 15.0 110.477 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 5.0 tmt_? -57.48 -36.32 71.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.462 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -61.29 -41.37 96.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.949 -0.569 . . . . 15.0 111.195 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 134' ' ' ASP . . . . . 0.543 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 18.4 t70 -83.81 -23.28 31.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.831 0.348 . . . . 15.0 111.558 -179.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -82.94 -36.61 25.07 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 111.974 0.361 . . . . 15.0 111.974 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.76 -29.59 70.11 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.75 0.278 . . . . 15.0 111.75 -178.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 137' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 12.7 ptpt -69.37 -25.15 64.03 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.359 -0.608 . . . . 15.0 109.359 178.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -83.96 -28.04 28.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.285 -0.87 . . . . 15.0 108.725 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -61.97 -33.81 74.99 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.4 -0.818 . . . . 15.0 110.299 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.04 -26.43 68.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 15.0 110.439 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -83.05 -41.39 18.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.876 -0.602 . . . . 15.0 110.215 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' B' ' 146' ' ' GLU . 40.7 ttp85 -75.31 -55.07 6.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.765 -0.652 . . . . 15.0 111.582 -179.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -61.0 -21.39 63.52 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.129 0.418 . . . . 15.0 112.129 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -57.47 -51.95 67.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.932 0.396 . . . . 15.0 110.418 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -90.02 -32.57 16.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.127 -0.488 . . . . 15.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 146' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' B' ' 142' ' ' ARG . 7.5 tt0 -61.03 -55.13 36.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.002 -0.544 . . . . 15.0 111.903 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.73 -27.47 67.64 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.813 0.34 . . . . 15.0 111.188 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -73.89 -41.1 62.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.922 -0.581 . . . . 15.0 110.576 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 15.9 tp -75.4 -45.69 37.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.136 -0.483 . . . . 15.0 110.728 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -76.32 107.66 8.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.973 -0.558 . . . . 15.0 111.096 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -76.1 -36.27 58.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.895 0.378 . . . . 15.0 110.171 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.892 -0.575 . . . . 15.0 109.812 179.639 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.842 0.354 . . . . 15.0 111.143 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -127.91 106.52 9.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.204 -0.453 . . . . 15.0 109.998 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -150.7 161.09 43.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.825 0.345 . . . . 15.0 111.053 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.3 m -147.24 138.24 23.74 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.391 -0.596 . . . . 15.0 109.391 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 17.1 mmt -113.8 165.27 12.73 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 122.331 -0.23 . . . . 15.0 110.838 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -85.74 97.45 10.16 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.498 0.555 . . . . 15.0 112.498 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.05 -113.4 1.63 Allowed Glycine 0 C--O 1.23 -0.137 0 CA-C-N 115.036 -0.984 . . . . 15.0 114.985 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.613 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 23.7 m -76.44 -9.44 58.65 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.784 0.661 . . . . 15.0 112.784 -177.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.23 56.43 14.81 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 121.053 -0.594 . . . . 15.0 112.326 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -65.13 -24.72 67.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.192 0.52 . . . . 15.0 110.357 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.39 27.37 9.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.535 -0.757 . . . . 15.0 110.085 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -75.65 113.46 13.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.55 -0.75 . . . . 15.0 110.401 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -112.47 32.53 5.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.13 -0.487 . . . . 15.0 110.65 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.12 146.51 41.31 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.765 -0.731 . . . . 15.0 111.634 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -85.49 105.72 16.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.218 0.532 . . . . 15.0 111.002 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.0 tt -156.2 130.8 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.462 -0.79 . . . . 15.0 109.321 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.6 37.25 4.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.914 0.388 . . . . 15.0 111.46 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -140.54 153.93 46.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.264 -0.426 . . . . 15.0 111.215 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.7 p -95.83 -177.43 4.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.966 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -68.48 -22.72 64.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.883 0.373 . . . . 15.0 110.792 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.02 3.55 51.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.225 -0.443 . . . . 15.0 110.985 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.63 25.42 72.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.871 -0.68 . . . . 15.0 112.754 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.61 158.02 16.19 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.313 -0.254 . . . . 15.0 110.313 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -81.33 131.64 35.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.065 0.46 . . . . 15.0 111.622 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.509 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 13.7 t -82.5 142.24 32.02 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.527 -0.761 . . . . 15.0 110.874 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -94.11 148.8 21.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.869 -0.605 . . . . 15.0 109.998 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.545 ' HB2' ' OG ' ' A' ' 34' ' ' SER . . . -67.34 144.22 55.96 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 110.33 -0.248 . . . . 15.0 110.33 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 60.7 m95 -67.54 -26.41 66.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.21 -0.45 . . . . 15.0 111.409 -178.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -103.21 11.83 36.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.673 -0.239 . . . . 15.0 111.444 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.545 ' OG ' ' HB2' ' A' ' 31' ' ' ALA . 3.0 m -67.59 153.9 42.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 15.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -104.53 19.67 19.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.41 -0.359 . . . . 15.0 111.45 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.36 143.95 97.67 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 106.507 -1.664 . . . . 15.0 106.507 176.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.81 100.7 1.22 Allowed 'Trans proline' 0 N--CA 1.457 -0.638 0 CA-C-N 120.101 1.072 . . . . 15.0 112.812 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.408 ' NE2' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -121.25 162.63 19.9 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 113.928 -1.487 . . . . 15.0 109.209 176.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.69 110.47 22.81 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 107.312 -1.366 . . . . 15.0 107.312 175.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -172.08 174.38 4.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.193 0.521 . . . . 15.0 111.414 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.01 21.29 3.17 Favored Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.41 -0.814 . . . . 15.0 111.114 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -86.61 111.47 20.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.519 -0.341 . . . . 15.0 110.816 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.1 mm -119.38 130.26 24.94 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.375 -0.602 . . . . 15.0 109.375 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -51.9 -35.07 58.6 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.847 2.364 . . . . 15.0 113.048 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.11 -18.88 65.51 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.871 0.367 . . . . 15.0 111.74 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -86.91 -26.08 24.09 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.001 0.429 . . . . 15.0 111.084 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -124.54 68.7 51.92 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.153 -0.476 . . . . 15.0 110.987 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.86 -32.72 8.73 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.22 1.946 . . . . 15.0 112.329 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -75.09 -10.46 59.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.264 -0.425 . . . . 15.0 111.389 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -92.7 -4.13 53.7 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.71 -0.478 . . . . 15.0 109.71 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 39.6 t30 55.16 56.74 6.17 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 114.992 -1.004 . . . . 15.0 111.232 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mp -84.17 109.85 18.06 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.489 -0.56 . . . . 15.0 109.489 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -144.0 150.63 38.56 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.333 -0.394 . . . . 15.0 110.646 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt 53.59 -129.12 2.32 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.798 -0.637 . . . . 15.0 111.203 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -130.12 26.3 5.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.926 0.393 . . . . 15.0 110.56 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -75.47 136.78 40.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.231 -0.441 . . . . 15.0 110.767 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 50.8 t -71.47 146.31 48.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.198 -0.456 . . . . 15.0 110.269 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.23 179.43 7.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 15.0 109.674 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -119.69 86.82 36.01 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.563 -0.289 . . . . 15.0 110.799 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -92.84 2.32 3.64 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.856 2.371 . . . . 15.0 112.032 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -105.46 -8.44 18.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.689 -0.687 . . . . 15.0 111.547 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 60.64 31.44 20.18 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.157 0.504 . . . . 15.0 109.849 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.32 -171.85 3.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.566 -0.743 . . . . 15.0 111.079 -178.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.3 mp -51.37 -42.27 61.22 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.518 -0.764 . . . . 15.0 112.868 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -163.59 154.43 13.88 Favored Pre-proline 0 C--O 1.224 -0.255 0 C-N-CA 120.983 -0.287 . . . . 15.0 111.106 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.613 ' HD3' ' O ' ' A' ' 12' ' ' SER . 52.4 Cg_exo -52.22 135.34 52.88 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.995 2.463 . . . . 15.0 113.738 -178.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 -130.78 179.22 6.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.2 -0.909 . . . . 15.0 109.426 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.509 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -164.62 158.25 17.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.719 0.295 . . . . 15.0 110.688 179.755 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -79.21 141.75 36.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 15.0 109.944 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.49 142.15 39.31 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.473 -0.331 . . . . 15.0 111.284 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.78 52.84 2.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.978 0.418 . . . . 15.0 112.056 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.48 128.82 21.22 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.463 -0.335 . . . . 15.0 110.263 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_exo -60.08 -21.22 64.61 Favored 'Trans proline' 0 N--CA 1.476 0.472 0 C-N-CA 122.57 2.18 . . . . 15.0 113.388 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -98.04 -0.45 44.57 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.551 -0.295 . . . . 15.0 111.682 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -149.78 104.74 3.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.615 0.245 . . . . 15.0 110.627 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.408 ' HA ' ' NE2' ' A' ' 38' ' ' HIS . 20.7 mtm180 -67.93 -45.21 74.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.217 -0.447 . . . . 15.0 111.231 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 58.5 p-90 -153.42 166.1 33.73 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.876 -0.33 . . . . 15.0 111.018 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -152.21 170.13 20.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.343 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -89.5 162.36 15.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.549 -0.75 . . . . 15.0 110.369 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 11.0 t -117.21 137.35 52.42 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.392 -0.595 . . . . 15.0 109.392 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -90.47 109.76 20.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 15.0 110.68 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.1 mt -124.85 132.61 24.34 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.935 -0.575 . . . . 15.0 110.421 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.35 133.07 44.21 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.702 2.268 . . . . 15.0 112.435 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -101.5 167.72 9.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.107 -0.497 . . . . 15.0 110.788 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.0 m -90.89 164.76 13.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.133 -0.485 . . . . 15.0 110.117 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.08 -36.43 64.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.307 0.575 . . . . 15.0 109.808 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.313 -0.851 . . . . 15.0 110.09 179.483 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.816 0 N-CA-C 111.976 -0.449 . . . . 15.0 111.976 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 4.9 t -155.79 -162.18 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.162 -0.681 . . . . 15.0 109.162 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 6.7 p -69.06 99.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.739 0.78 . . . . 15.0 109.793 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -105.27 -0.6 26.17 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.598 -0.728 . . . . 15.0 111.112 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -68.18 -53.7 23.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.227 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -91.44 57.18 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.724 -0.472 . . . . 15.0 109.724 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.86 -61.18 2.72 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.86 0.689 . . . . 15.0 112.86 -178.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.14 93.55 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.899 0.333 . . . . 15.0 111.899 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.03 -49.83 74.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 15.0 111.291 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.72 -41.6 92.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.42 . . . . 15.0 111.224 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -57.74 -49.14 77.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.012 -0.54 . . . . 15.0 110.924 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.32 -47.21 86.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.287 -0.415 . . . . 15.0 111.143 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -59.95 -44.85 94.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 15.0 111.567 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -69.92 -46.95 64.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.685 -0.234 . . . . 15.0 111.56 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 30.9 tp -57.37 -39.57 76.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.16 0.505 . . . . 15.0 110.377 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -72.28 -42.19 65.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.423 -0.808 . . . . 15.0 110.653 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -61.34 -46.97 88.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.76 -0.655 . . . . 15.0 111.465 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -34.05 73.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.424 . . . . 15.0 111.429 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -79.31 -42.24 26.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.382 -0.372 . . . . 15.0 111.117 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.72 -19.27 62.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 15.0 111.83 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -57.95 -17.94 20.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.45 -0.341 . . . . 15.0 111.809 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -60.89 -75.38 0.07 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.773 0.321 . . . . 15.0 111.131 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -134.92 -3.69 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 15.0 111.409 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -95.6 12.75 28.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.618 -0.265 . . . . 15.0 110.722 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.15 -35.75 75.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.103 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -69.52 -26.67 64.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.909 0.385 . . . . 15.0 110.584 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 60.1 ttp85 -86.27 -31.35 21.7 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.305 -0.628 . . . . 15.0 109.305 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -55.82 -50.39 70.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.184 -0.916 . . . . 15.0 110.253 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -61.78 -46.6 88.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.095 -0.502 . . . . 15.0 111.392 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 3.9 m -62.07 -41.61 98.34 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.812 0.339 . . . . 15.0 111.313 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -65.92 -41.79 90.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 15.0 110.854 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -42.62 79.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.934 -0.575 . . . . 15.0 111.637 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -58.58 -53.73 54.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 15.0 111.643 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.69 -36.97 83.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 15.0 110.814 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -62.64 -49.59 74.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.465 . . . . 15.0 111.338 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -32.04 73.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.046 0.45 . . . . 15.0 110.535 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -63.55 -42.48 98.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.873 -0.603 . . . . 15.0 110.112 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -75.91 -27.91 57.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.011 -0.541 . . . . 15.0 110.088 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.33 -22.38 66.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.754 -0.657 . . . . 15.0 111.522 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.37 -45.94 83.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.755 0.312 . . . . 15.0 110.693 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -69.6 -37.85 77.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.86 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' B' ' 146' ' ' GLU . 10.6 ttp180 -68.24 -57.03 6.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.261 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -62.49 -22.88 66.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.55 . . . . 15.0 112.213 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -58.27 -49.07 78.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.36 . . . . 15.0 110.497 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -92.09 -35.5 13.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 15.0 111.661 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 146' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' B' ' 142' ' ' ARG . 9.8 tt0 -58.34 -57.08 14.47 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.872 0.693 . . . . 15.0 112.872 -177.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -77.01 -10.1 59.14 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.194 0.521 . . . . 15.0 111.163 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 65.1 tttt -82.21 -45.53 14.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.801 -0.636 . . . . 15.0 110.253 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 45.2 tp -83.14 -53.35 5.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.592 -0.731 . . . . 15.0 110.53 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -95.96 90.6 5.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.061 0.457 . . . . 15.0 110.512 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -87.67 -17.29 32.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.211 -0.45 . . . . 15.0 111.269 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.744 -0.646 . . . . 15.0 110.316 179.854 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.54 0.21 . . . . 15.0 110.572 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -136.77 120.85 17.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.951 0.405 . . . . 15.0 110.734 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -161.72 162.27 29.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.715 -0.675 . . . . 15.0 109.811 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.6 m -136.15 132.19 35.68 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.99 0.424 . . . . 15.0 110.294 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.2 mmt -114.67 167.47 10.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.108 -0.496 . . . . 15.0 110.466 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.3 t60 -66.36 151.63 46.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.317 -0.401 . . . . 15.0 110.187 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.49 -60.59 7.63 Favored Glycine 0 CA--C 1.522 0.487 0 O-C-N 123.44 0.463 . . . . 15.0 113.114 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.6 t -68.05 -41.62 81.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.893 0.378 . . . . 15.0 110.76 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 61.44 44.25 98.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.992 -0.623 . . . . 15.0 112.246 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -70.56 -38.56 74.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.96 0.409 . . . . 15.0 111.226 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -95.17 26.59 3.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.177 -0.465 . . . . 15.0 110.977 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -65.12 112.11 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.647 -0.501 . . . . 15.0 109.647 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.433 ' HA ' ' NH2' ' A' ' 58' ' ' ARG . 8.1 t70 -116.79 11.7 14.6 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.171 -0.468 . . . . 15.0 110.923 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.93 147.67 50.29 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.641 -0.709 . . . . 15.0 112.008 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -76.99 115.5 16.84 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.947 0.403 . . . . 15.0 110.666 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 tt -165.46 131.14 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.536 -0.756 . . . . 15.0 109.838 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 p -130.74 39.8 3.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.21 0.529 . . . . 15.0 110.568 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -142.52 154.35 44.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.659 -0.7 . . . . 15.0 110.48 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.7 p -93.16 177.36 6.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.981 -0.554 . . . . 15.0 110.197 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -68.45 -19.23 64.56 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.182 0.515 . . . . 15.0 110.327 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -12.16 54.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.637 -0.711 . . . . 15.0 110.827 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.2 25.58 33.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.657 -0.782 . . . . 15.0 111.819 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.4 mt -97.16 154.5 17.33 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.263 -0.273 . . . . 15.0 110.263 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -74.8 137.78 42.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.052 -0.522 . . . . 15.0 110.939 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.583 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 28.7 t -90.57 141.43 28.77 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.635 -0.712 . . . . 15.0 111.029 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -87.13 144.57 26.8 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.586 -0.734 . . . . 15.0 110.166 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.423 ' HB2' ' HB2' ' A' ' 34' ' ' SER . . . -70.09 140.8 52.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.496 -0.32 . . . . 15.0 110.786 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -67.99 -19.82 64.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.812 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -103.16 3.59 35.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 15.0 111.32 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.423 ' HB2' ' HB2' ' A' ' 31' ' ' ALA . 34.4 t -79.95 147.56 31.56 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.089 -0.337 . . . . 15.0 110.089 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -109.21 36.56 2.87 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 120.72 -0.392 . . . . 15.0 111.873 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.66 142.72 96.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 105.413 -2.069 . . . . 15.0 105.413 175.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -70.9 97.92 0.76 Allowed 'Trans proline' 0 N--CA 1.454 -0.831 0 CA-C-N 121.085 1.423 . . . . 15.0 112.649 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.624 ' NE2' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -123.13 164.63 18.28 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 113.488 -1.687 . . . . 15.0 108.88 176.161 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.27 112.34 24.07 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 106.955 -1.498 . . . . 15.0 106.955 175.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.494 ' HA ' ' NH1' ' B' ' 132' ' ' ARG . 46.5 p-80 -170.92 -177.86 2.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.19 0.519 . . . . 15.0 111.828 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.62 35.76 0.43 Allowed Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.27 -0.877 . . . . 15.0 110.933 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -104.83 108.1 19.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 15.0 110.683 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 8.9 mm -110.88 129.47 23.94 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.968 -0.56 . . . . 15.0 109.577 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -53.62 -27.46 41.74 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.157 2.571 . . . . 15.0 113.608 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.57 -22.22 61.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.045 0.45 . . . . 15.0 111.089 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -95.9 -6.22 39.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.016 -0.538 . . . . 15.0 110.738 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -136.69 56.67 13.82 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.131 -0.486 . . . . 15.0 111.701 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -82.39 -6.41 11.86 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.07 1.846 . . . . 15.0 111.349 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -80.85 -25.47 37.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.909 -1.041 . . . . 15.0 110.707 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.44 ' HG3' ' HA ' ' A' ' 60' ' ' PRO . 48.8 mmtt -102.19 8.89 40.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.008 0.432 . . . . 15.0 110.444 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 51.4 t30 54.51 56.81 6.39 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.095 -0.957 . . . . 15.0 112.028 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.0 mp -79.52 110.53 14.92 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.504 -0.554 . . . . 15.0 109.504 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -143.8 144.09 31.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.575 0.226 . . . . 15.0 110.722 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt 52.47 -133.77 1.76 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.523 -0.762 . . . . 15.0 111.928 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -120.4 31.5 6.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.989 0.424 . . . . 15.0 110.95 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -81.05 144.65 31.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.268 -0.424 . . . . 15.0 110.333 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.9 t -62.71 132.68 53.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.279 -0.419 . . . . 15.0 109.996 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.433 ' NH2' ' HA ' ' A' ' 17' ' ' ASP . 2.4 mmp_? -133.93 169.85 16.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.776 0.322 . . . . 15.0 110.57 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -134.28 82.98 45.67 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-O 121.343 0.592 . . . . 15.0 109.624 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.44 ' HA ' ' HG3' ' A' ' 50' ' ' LYS . 76.2 Cg_endo -85.27 1.97 8.07 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.465 2.11 . . . . 15.0 113.872 -178.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.43 ' HB2' ' HD3' ' B' ' 129' ' ' LYS . 38.1 t70 -109.24 -15.6 14.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.813 0.339 . . . . 15.0 110.825 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.1 mtm105 66.06 29.93 9.78 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.152 -1.055 . . . . 15.0 108.152 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -76.3 -171.62 1.82 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 114.584 -1.189 . . . . 15.0 111.126 -179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.0 mt -51.03 -43.3 60.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.213 -0.903 . . . . 15.0 112.983 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -160.15 148.69 13.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 C-N-CA 120.61 -0.436 . . . . 15.0 111.913 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.52 145.87 21.08 Favored 'Trans proline' 0 C--O 1.238 0.52 0 C-N-CA 123.236 2.624 . . . . 15.0 114.101 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 29.7 p-90 -136.8 173.31 11.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.145 -0.934 . . . . 15.0 109.775 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.583 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 4.9 p -164.88 156.87 15.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.577 -0.283 . . . . 15.0 111.019 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -79.52 147.76 32.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 15.0 109.922 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.31 167.04 10.07 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.888 0.375 . . . . 15.0 111.274 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 p -99.3 18.71 16.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.018 0.437 . . . . 15.0 110.848 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.44 119.64 48.9 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 15.0 109.872 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.5 -21.06 22.71 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.267 2.645 . . . . 15.0 114.686 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -87.29 -11.86 48.31 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.696 0.284 . . . . 15.0 111.604 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.78 109.18 6.91 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.04 -0.355 . . . . 15.0 110.04 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.624 ' HA ' ' NE2' ' A' ' 38' ' ' HIS . 8.8 mtm180 -65.89 -54.03 31.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.616 0.246 . . . . 15.0 110.875 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.4 p-90 -146.98 159.75 43.19 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.895 -0.409 . . . . 15.0 109.895 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -141.22 173.21 11.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.223 0.535 . . . . 15.0 111.345 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -94.49 158.96 15.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.357 -0.838 . . . . 15.0 110.837 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 5.0 t -120.36 138.64 53.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.211 -0.663 . . . . 15.0 109.211 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -95.23 115.97 28.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.807 0.337 . . . . 15.0 110.59 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.9 mt -125.15 132.82 24.4 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.097 -0.501 . . . . 15.0 110.125 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -64.78 122.68 10.59 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.27 1.98 . . . . 15.0 111.177 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -103.28 163.15 12.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.167 -0.47 . . . . 15.0 111.095 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 18.6 m -74.0 149.52 41.24 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.933 -0.576 . . . . 15.0 110.271 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.59 -25.61 50.06 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.905 0.383 . . . . 15.0 110.738 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.215 0 CA-C-O 118.748 -0.644 . . . . 15.0 110.323 179.661 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 112.473 -0.251 . . . . 15.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' SER . . . . . 0.401 ' HB2' ' H ' ' B' ' 103' ' ' VAL . 14.4 p -157.97 -151.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.723 0.262 . . . . 15.0 110.414 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . 0.401 ' H ' ' HB2' ' B' ' 102' ' ' SER . 5.5 p -76.4 74.11 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-O 122.221 1.01 . . . . 15.0 110.523 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -86.93 8.34 23.55 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.361 -0.836 . . . . 15.0 112.197 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -71.48 -27.07 62.98 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.159 0.504 . . . . 15.0 109.838 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -102.2 41.02 1.26 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.75 -0.659 . . . . 15.0 109.55 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -56.9 15.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.633 -0.712 . . . . 15.0 112.627 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.58 -42.35 95.69 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.829 0.307 . . . . 15.0 111.829 -178.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -62.23 -45.48 93.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.052 -0.522 . . . . 15.0 110.787 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.67 -38.04 73.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 15.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -61.84 -48.88 78.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 15.0 110.674 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 65.8 mt -59.49 -41.38 89.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.873 0.368 . . . . 15.0 110.539 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -66.42 -42.54 87.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 15.0 110.359 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -67.86 -44.4 77.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.531 . . . . 15.0 111.101 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 17.3 tp -60.94 -39.18 88.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.113 0.482 . . . . 15.0 110.346 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -68.91 -44.98 72.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.557 -0.747 . . . . 15.0 110.029 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -64.5 -37.52 87.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.897 -0.592 . . . . 15.0 110.747 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -61.88 -44.52 96.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.831 -0.622 . . . . 15.0 111.374 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.18 -35.74 55.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.918 0.39 . . . . 15.0 111.013 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.01 -27.46 65.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.107 -0.497 . . . . 15.0 111.417 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -48.67 -28.4 3.51 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 122.959 0.504 . . . . 15.0 111.623 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -54.35 -67.72 0.24 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.949 -0.569 . . . . 15.0 110.864 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -154.53 4.01 0.24 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.435 0.531 . . . . 15.0 112.435 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.04 3.0 32.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.999 0.428 . . . . 15.0 110.318 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 18.0 tp -58.78 -29.8 67.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.535 -0.757 . . . . 15.0 110.925 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -61.34 -54.68 40.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.808 -0.633 . . . . 15.0 110.526 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -73.75 -33.41 64.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.075 -0.512 . . . . 15.0 110.84 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -58.04 -43.82 87.05 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.347 0.594 . . . . 15.0 109.787 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.43 ' HD3' ' HB2' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -63.83 -38.1 89.83 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.258 -0.883 . . . . 15.0 110.539 179.65 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 1.5 m -71.12 -31.33 67.62 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.319 0.58 . . . . 15.0 110.157 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -65.25 -34.82 79.26 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.709 -0.678 . . . . 15.0 109.836 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . 0.494 ' NH1' ' HA ' ' A' ' 40' ' ' HIS . 19.4 mtp180 -59.56 -38.7 81.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.716 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -54.86 -42.87 72.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 15.0 111.32 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 134' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 25.2 t70 -85.07 -30.72 23.86 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.079 0.4 . . . . 15.0 112.079 -179.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -74.47 -45.7 44.48 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.182 0.438 . . . . 15.0 112.182 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.34 -38.34 90.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.712 0.292 . . . . 15.0 111.329 -178.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 137' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 0.2 OUTLIER -64.08 -32.66 74.3 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.727 -0.471 . . . . 15.0 109.727 179.332 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -76.91 -36.31 56.73 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.896 -0.779 . . . . 15.0 108.896 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.03 -37.15 81.57 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.413 -0.812 . . . . 15.0 110.067 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.76 -38.21 72.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.343 -0.39 . . . . 15.0 110.757 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.74 -38.28 21.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.224 -0.443 . . . . 15.0 111.114 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 38.5 ttp85 -71.66 -44.34 64.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.539 -0.3 . . . . 15.0 111.657 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -61.13 -29.84 70.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.652 -0.249 . . . . 15.0 111.283 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . 0.523 ' O ' ' HB2' ' B' ' 148' ' ' LYS . . . -60.72 -41.96 96.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 15.0 110.641 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.76 -37.1 16.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.917 -0.583 . . . . 15.0 110.834 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -60.47 -55.41 33.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.823 -0.626 . . . . 15.0 111.507 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -70.73 -17.49 62.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.045 0.45 . . . . 15.0 110.898 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . 0.523 ' HB2' ' O ' ' B' ' 144' ' ' ALA . 66.6 tttt -72.63 -26.59 61.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.898 -0.592 . . . . 15.0 109.994 179.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 14.3 tp -105.51 -38.4 6.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.827 -0.624 . . . . 15.0 110.464 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -78.49 83.45 4.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.037 -0.529 . . . . 15.0 110.595 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -65.41 0.69 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.387 -0.824 . . . . 15.0 111.398 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.402 -0.808 . . . . 15.0 110.036 -179.636 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 120.573 0.225 . . . . 15.0 110.447 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -150.54 99.03 2.71 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.124 -0.324 . . . . 15.0 110.124 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -166.38 162.67 17.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.445 -0.343 . . . . 15.0 110.46 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.9 m -144.07 150.97 39.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.299 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.5 mmt -114.91 154.6 28.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.569 -0.287 . . . . 15.0 110.449 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.59 95.46 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.998 -0.546 . . . . 15.0 112.146 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 39.43 -101.9 0.02 OUTLIER Glycine 0 CA--C 1.522 0.53 0 O-C-N 124.17 0.919 . . . . 15.0 115.148 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.589 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 47.8 t -65.1 -39.2 92.83 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 122.983 0.513 . . . . 15.0 111.602 -179.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.11 48.39 75.8 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.746 -0.74 . . . . 15.0 111.674 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.9 -38.13 87.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.86 0.362 . . . . 15.0 111.109 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -96.76 27.92 3.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.17 -0.468 . . . . 15.0 111.204 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -66.8 110.58 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 15.0 110.839 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -109.14 26.75 10.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.326 0.584 . . . . 15.0 110.306 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.59 159.65 53.11 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.608 -0.724 . . . . 15.0 112.453 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -92.49 105.68 17.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.878 0.371 . . . . 15.0 111.034 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.5 tt -162.66 137.67 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.914 -0.584 . . . . 15.0 109.511 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.37 25.27 3.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.15 0.5 . . . . 15.0 110.979 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -130.6 136.23 48.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.995 -0.548 . . . . 15.0 110.254 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.7 p -80.22 177.23 9.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.752 0.31 . . . . 15.0 110.753 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -70.02 -15.9 63.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.223 0.535 . . . . 15.0 110.328 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.62 -2.73 58.81 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.85 -0.614 . . . . 15.0 110.855 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.46 25.12 63.95 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.892 -0.67 . . . . 15.0 112.419 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.1 mt -98.08 163.18 12.86 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.919 -0.401 . . . . 15.0 109.919 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -91.15 144.03 26.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.011 0.434 . . . . 15.0 110.578 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.61 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 3.5 t -96.34 141.88 29.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.808 -0.633 . . . . 15.0 111.897 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -88.06 139.13 30.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.547 -0.752 . . . . 15.0 109.848 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.442 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -62.6 141.58 58.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.499 -0.319 . . . . 15.0 110.961 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -63.83 -23.01 67.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.063 -0.517 . . . . 15.0 111.591 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -98.68 -9.86 24.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.454 -0.339 . . . . 15.0 111.426 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.442 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 13.0 t -77.21 146.12 37.18 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 108.341 -0.985 . . . . 15.0 108.341 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -118.93 60.37 0.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.76 1.022 . . . . 15.0 113.76 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.18 161.15 79.94 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 105.016 -2.216 . . . . 15.0 105.016 174.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -72.28 97.49 0.86 Allowed 'Trans proline' 0 N--CA 1.455 -0.768 0 CA-C-N 122.084 1.78 . . . . 15.0 111.918 -178.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.521 ' NE2' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -124.63 162.65 23.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.025 -1.443 . . . . 15.0 110.141 176.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.75 113.34 26.78 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 106.961 -1.496 . . . . 15.0 106.961 174.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -171.62 -176.35 1.77 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.292 0.568 . . . . 15.0 112.314 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.7 28.37 0.48 Allowed Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.026 -0.988 . . . . 15.0 110.792 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -94.59 73.29 3.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.958 0.409 . . . . 15.0 110.941 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.421 HG21 ' H ' ' A' ' 45' ' ' SER . 33.0 mm -79.97 131.37 63.54 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.092 -0.504 . . . . 15.0 110.093 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -52.75 -31.23 50.05 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.991 2.461 . . . . 15.0 112.595 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.421 ' H ' HG21 ' A' ' 43' ' ' ILE . 1.1 m -70.69 -11.6 61.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.017 -0.538 . . . . 15.0 111.431 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -99.05 -15.4 19.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.514 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -136.4 60.07 30.04 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.29 -0.414 . . . . 15.0 111.206 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.74 -24.03 18.66 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 121.897 1.732 . . . . 15.0 111.972 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -77.53 -12.27 59.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.825 -0.625 . . . . 15.0 111.413 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -98.05 3.98 49.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.016 0.436 . . . . 15.0 109.991 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 55.4 t30 52.39 61.52 3.16 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.092 -0.958 . . . . 15.0 111.94 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.1 mp -84.42 109.46 17.89 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.52 -0.548 . . . . 15.0 109.52 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -146.52 148.99 32.76 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 116.187 -0.46 . . . . 15.0 110.355 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt 51.83 -142.1 0.76 Allowed 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.593 0.558 . . . . 15.0 111.261 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -118.87 28.99 7.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.112 0.482 . . . . 15.0 110.249 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -77.87 140.53 39.34 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.874 -0.603 . . . . 15.0 110.364 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 9.3 t -60.46 129.89 43.87 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.826 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -134.67 166.44 22.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.999 -0.546 . . . . 15.0 109.869 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -126.94 75.54 76.19 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.653 -0.499 . . . . 15.0 109.653 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -87.91 -4.94 7.02 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.696 2.264 . . . . 15.0 111.728 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.451 ' OD2' ' HB2' ' B' ' 129' ' ' LYS . 0.4 OUTLIER -91.67 -23.17 19.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.538 -0.755 . . . . 15.0 110.213 -179.622 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 mtm105 65.55 35.98 6.85 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.643 -0.708 . . . . 15.0 109.932 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -89.51 -169.47 2.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.87 -1.059 . . . . 15.0 110.155 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.5 mt -49.65 -46.73 49.99 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.906 0.706 . . . . 15.0 112.906 -178.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -156.17 155.85 29.6 Favored Pre-proline 0 C--N 1.331 -0.239 0 C-N-CA 120.715 -0.394 . . . . 15.0 111.756 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.589 ' HD3' ' O ' ' A' ' 12' ' ' SER . 32.0 Cg_exo -56.6 144.13 86.42 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.956 2.437 . . . . 15.0 113.717 -179.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 43.8 p-90 -139.34 -176.44 4.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.022 -0.99 . . . . 15.0 109.425 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.61 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 2.5 p -165.67 154.22 11.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.626 0.25 . . . . 15.0 110.701 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -75.52 133.51 40.99 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.488 -0.56 . . . . 15.0 109.488 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.31 155.62 16.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.233 -0.44 . . . . 15.0 111.454 -178.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.64 11.3 3.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 15.0 112.086 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.406 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.5 OUTLIER -94.62 127.37 44.02 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 110.399 -0.223 . . . . 15.0 110.399 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 18.4 Cg_exo -66.12 -19.5 57.08 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.395 2.063 . . . . 15.0 112.866 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -88.2 -18.29 29.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.538 -0.301 . . . . 15.0 111.411 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.8 tptp -133.23 109.57 9.51 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.855 -0.424 . . . . 15.0 109.855 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.521 ' HA ' ' NE2' ' A' ' 38' ' ' HIS . 9.1 mtm180 -64.34 -56.0 17.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.278 -0.419 . . . . 15.0 111.388 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.9 p-90 -146.71 153.73 40.6 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.794 -0.363 . . . . 15.0 110.673 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -139.06 165.05 28.15 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.079 -0.509 . . . . 15.0 110.63 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -83.4 160.97 21.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.548 -0.751 . . . . 15.0 111.718 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.6 t -118.06 134.32 55.09 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.035 -0.728 . . . . 15.0 109.035 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -89.3 96.7 10.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.012 0.434 . . . . 15.0 110.867 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.5 mt -111.85 125.64 29.94 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.535 -0.757 . . . . 15.0 109.983 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.91 122.98 12.52 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 122.886 2.391 . . . . 15.0 112.841 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -98.58 159.68 14.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.744 -0.662 . . . . 15.0 110.237 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 17.7 m -72.68 149.04 44.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.348 -0.387 . . . . 15.0 110.666 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.07 -20.39 48.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.014 0.435 . . . . 15.0 110.985 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.294 -0.86 . . . . 15.0 110.442 179.828 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.806 0 N-CA-C 112.052 -0.419 . . . . 15.0 112.052 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.64 153.59 21.04 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.389 -0.226 . . . . 15.0 110.389 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 14.5 p -64.83 134.74 29.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 121.302 0.572 . . . . 15.0 111.454 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -122.22 43.42 2.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.004 -0.544 . . . . 15.0 110.856 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -68.76 -30.02 68.53 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.138 -0.483 . . . . 15.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -97.67 77.15 2.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.959 -0.564 . . . . 15.0 110.587 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -63.48 1.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.874 0.369 . . . . 15.0 111.97 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.91 -36.88 78.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.29 -0.414 . . . . 15.0 111.977 -178.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -51.34 69.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.161 -0.472 . . . . 15.0 111.326 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.03 -36.23 74.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.087 -0.506 . . . . 15.0 111.154 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.47 -50.24 72.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.433 -0.349 . . . . 15.0 110.645 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 99.4 mt -62.66 -47.75 82.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 15.0 110.858 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -60.11 -46.45 89.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.851 -0.613 . . . . 15.0 111.495 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -66.71 -46.13 76.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.634 -0.257 . . . . 15.0 110.956 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 27.7 tp -56.41 -50.1 72.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 15.0 110.716 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -62.89 -38.66 91.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.625 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -63.56 -45.59 89.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.335 -0.393 . . . . 15.0 111.161 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -68.91 -34.2 75.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.631 -0.259 . . . . 15.0 111.157 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.47 -45.27 60.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.136 0.493 . . . . 15.0 110.285 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.23 -18.87 61.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.949 -0.569 . . . . 15.0 111.552 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -52.6 -24.66 8.74 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 122.94 0.496 . . . . 15.0 112.332 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.28 -69.27 0.23 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.487 -0.324 . . . . 15.0 111.572 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -137.39 -4.78 1.84 Allowed 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.379 0.511 . . . . 15.0 112.379 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -97.64 11.22 37.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.516 -0.311 . . . . 15.0 110.581 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 33.6 tp -56.93 -37.85 72.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.235 -0.439 . . . . 15.0 111.874 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.13 -36.91 82.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.387 -0.369 . . . . 15.0 111.009 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 37.6 ttp85 -81.45 -25.1 36.4 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.579 -0.448 . . . . 15.0 109.986 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -59.32 -51.18 71.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 15.0 110.174 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.479 ' HG2' ' N ' ' B' ' 130' ' ' SER . 0.1 OUTLIER -63.08 -39.34 94.43 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.392 -0.367 . . . . 15.0 110.923 -179.729 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' SER . . . . . 0.479 ' N ' ' HG2' ' B' ' 129' ' ' LYS . 1.6 m -65.31 -42.44 93.02 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.044 0.449 . . . . 15.0 110.954 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -65.76 -42.5 90.79 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.096 -0.502 . . . . 15.0 109.793 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -43.87 79.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.73 -0.668 . . . . 15.0 110.355 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -53.46 53.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.415 -0.811 . . . . 15.0 112.072 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 134' ' ' ASP . . . . . 0.501 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 15.3 t70 -74.68 -32.27 62.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.284 -0.416 . . . . 15.0 112.002 -178.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -69.77 -39.66 76.52 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.709 0.29 . . . . 15.0 110.975 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -61.52 -43.38 98.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.161 -0.472 . . . . 15.0 110.947 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 137' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 3.9 ptpt -66.64 -20.43 65.99 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.417 -0.356 . . . . 15.0 110.881 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -85.05 -31.65 23.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.4 0.619 . . . . 15.0 109.402 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' B' ' 143' ' ' LYS . 49.5 mm-40 -75.61 -8.86 57.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.402 -0.817 . . . . 15.0 110.641 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.03 -59.46 4.88 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.311 0.382 . . . . 15.0 111.55 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 41.0 mp0 -79.11 -34.82 43.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.929 0.395 . . . . 15.0 110.745 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 9.2 ttp85 -62.09 -49.0 77.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.252 -0.431 . . . . 15.0 111.312 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' B' ' 139' ' ' GLU . 28.4 mmtm -68.5 -33.11 73.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.306 0.098 . . . . 15.0 110.971 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -55.99 -43.99 78.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 15.0 111.106 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -89.22 -28.44 19.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.223 -0.444 . . . . 15.0 111.567 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -68.16 -51.63 43.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.517 -0.311 . . . . 15.0 110.428 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -64.66 -31.0 72.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.165 0.507 . . . . 15.0 110.149 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -67.78 -49.2 63.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.672 -0.694 . . . . 15.0 110.821 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 20.2 tp -73.93 -42.25 60.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.97 0.414 . . . . 15.0 110.529 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -94.13 86.85 5.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.221 0.534 . . . . 15.0 110.565 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -74.84 -16.44 60.69 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.943 -0.572 . . . . 15.0 109.865 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 . . . . . 0 C--O 1.246 0.876 0 CA-C-O 118.507 -0.758 . . . . 15.0 109.517 178.626 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.233 0.192 0 N-CA-C 110.275 -0.269 . . . . 15.0 110.275 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -86.06 132.68 33.99 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.305 -0.407 . . . . 15.0 110.839 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -167.26 156.39 10.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 15.0 111.206 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.9 m -143.21 137.76 29.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.763 -0.653 . . . . 15.0 110.024 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.4 mmt -117.45 168.87 9.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.115 0.484 . . . . 15.0 111.526 -178.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -66.01 151.83 45.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.379 -0.828 . . . . 15.0 110.561 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -47.42 -65.69 2.24 Favored Glycine 0 C--N 1.332 0.354 0 O-C-N 123.487 0.492 . . . . 15.0 114.263 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 m -68.17 -42.89 79.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.967 0.413 . . . . 15.0 111.126 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.5 31.76 62.78 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.727 -0.749 . . . . 15.0 112.924 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.05 -32.4 59.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.343 0.592 . . . . 15.0 109.728 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -89.23 27.17 1.46 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.451 -0.795 . . . . 15.0 109.886 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -67.85 114.84 6.76 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.668 -0.696 . . . . 15.0 110.679 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.58 19.53 18.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.789 -0.641 . . . . 15.0 109.852 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.41 164.5 52.5 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.266 -0.879 . . . . 15.0 113.013 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -112.93 106.24 14.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.879 0.371 . . . . 15.0 110.576 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 tt -155.06 126.48 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.641 -0.503 . . . . 15.0 109.641 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.77 3.88 27.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.225 -0.443 . . . . 15.0 111.726 -178.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -117.75 152.75 34.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.831 0.348 . . . . 15.0 110.639 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.4 p -89.82 179.33 6.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.39 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -66.02 -17.73 64.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.75 0.31 . . . . 15.0 111.229 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -93.17 -5.94 48.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.276 -0.42 . . . . 15.0 111.363 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.31 7.79 69.28 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.491 -0.862 . . . . 15.0 112.838 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.5 mt -84.34 157.02 21.62 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.896 -0.409 . . . . 15.0 109.896 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -81.78 139.78 34.61 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.109 0.481 . . . . 15.0 111.598 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.588 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 6.9 t -87.76 135.89 33.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.68 -0.691 . . . . 15.0 110.598 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -82.32 138.25 34.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.911 -0.586 . . . . 15.0 110.096 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.532 ' HB1' ' OG ' ' A' ' 34' ' ' SER . . . -65.19 138.56 58.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.965 0.412 . . . . 15.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -66.3 -20.75 66.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.502 -0.772 . . . . 15.0 111.179 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -103.16 4.81 37.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.46 -0.337 . . . . 15.0 111.051 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.532 ' OG ' ' HB1' ' A' ' 31' ' ' ALA . 24.0 m -91.1 128.68 37.01 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.846 -0.427 . . . . 15.0 109.846 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -90.86 43.01 1.13 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.336 0.495 . . . . 15.0 112.336 -178.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -67.28 139.6 94.91 Favored Pre-proline 0 C--O 1.235 0.336 0 N-CA-C 105.032 -2.21 . . . . 15.0 105.032 175.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -71.03 98.1 0.79 Allowed 'Trans proline' 0 N--CA 1.456 -0.687 0 CA-C-N 120.522 1.222 . . . . 15.0 114.045 -175.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.417 ' NE2' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -124.03 165.73 16.96 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 113.235 -1.802 . . . . 15.0 107.738 174.761 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -96.79 111.5 23.65 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.448 -1.315 . . . . 15.0 107.448 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -171.15 176.0 4.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.875 0.369 . . . . 15.0 111.373 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -145.07 39.36 1.19 Allowed Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.666 -0.697 . . . . 15.0 111.601 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -105.73 125.71 51.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.709 0.29 . . . . 15.0 111.121 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.491 ' HB ' ' CD ' ' A' ' 46' ' ' LYS . 35.6 mm -136.35 133.42 19.36 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 108.602 -0.888 . . . . 15.0 108.602 179.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -50.28 -34.85 41.8 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.072 2.515 . . . . 15.0 113.404 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.458 ' H ' HG21 ' A' ' 43' ' ' ILE . 1.4 m -71.62 -4.94 30.01 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.32 0.489 . . . . 15.0 112.32 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.491 ' CD ' ' HB ' ' A' ' 43' ' ' ILE . 39.9 mtpt -102.81 -17.96 15.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.988 0.423 . . . . 15.0 110.404 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.428 ' N ' ' HD3' ' A' ' 48' ' ' PRO . 81.0 m-85 -136.27 62.34 43.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 15.0 110.531 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 47' ' ' PHE . 3.3 Cg_exo -74.14 -27.27 11.92 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.501 2.134 . . . . 15.0 112.135 -178.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -75.87 -15.74 60.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 15.0 110.79 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -94.39 -0.05 55.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.134 -0.485 . . . . 15.0 110.324 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.9 t30 56.68 61.3 2.7 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.346 -0.843 . . . . 15.0 111.683 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 mp -93.64 110.38 21.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.023 -0.535 . . . . 15.0 109.649 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -146.4 152.79 39.63 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.183 -0.462 . . . . 15.0 109.809 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt 53.38 -129.29 2.32 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.722 0.639 . . . . 15.0 111.147 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.452 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . 29.7 p-10 -131.14 32.26 4.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.092 0.472 . . . . 15.0 110.292 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -72.38 147.48 46.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.815 -0.63 . . . . 15.0 110.501 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 5.8 t -67.55 126.76 30.33 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.129 -0.693 . . . . 15.0 109.129 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -137.55 176.13 8.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.74 0.305 . . . . 15.0 110.57 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -147.06 92.64 4.9 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-O 121.109 0.48 . . . . 15.0 109.852 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -84.5 -1.85 9.76 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.358 2.038 . . . . 15.0 113.63 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 62' ' ' ARG . 32.2 t70 -104.26 -24.8 13.08 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.904 -0.318 . . . . 15.0 111.555 -179.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 19.4 mtm180 74.99 37.96 0.46 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.688 0.618 . . . . 15.0 109.336 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -81.49 -169.59 2.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.539 -0.755 . . . . 15.0 111.104 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.08 -39.93 43.98 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.64 0.978 . . . . 15.0 113.64 -178.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -163.35 152.94 12.77 Favored Pre-proline 0 N--CA 1.468 0.425 0 CA-C-N 118.327 0.512 . . . . 15.0 112.028 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.2 149.43 28.35 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.144 2.563 . . . . 15.0 113.378 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 -146.8 171.22 15.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.238 -0.892 . . . . 15.0 109.789 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.588 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -161.12 155.25 22.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.412 -0.358 . . . . 15.0 110.601 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -73.68 143.21 46.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.114 -0.494 . . . . 15.0 109.809 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.47 156.79 17.08 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.789 0.328 . . . . 15.0 111.181 -179.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.73 34.93 1.28 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.422 0.63 . . . . 15.0 110.389 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -114.46 127.23 27.03 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.639 -0.71 . . . . 15.0 110.081 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.5 -21.01 52.11 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.778 2.319 . . . . 15.0 113.311 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -101.65 3.93 40.29 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.644 0.238 . . . . 15.0 111.644 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -141.06 115.15 9.21 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.81 -0.356 . . . . 15.0 110.971 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.417 ' HA ' ' NE2' ' A' ' 38' ' ' HIS . 81.0 mtt-85 -67.69 -63.22 1.1 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.184 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.2 p-90 -145.36 164.87 30.14 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.278 -0.638 . . . . 15.0 109.278 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -139.33 163.93 31.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.363 0.601 . . . . 15.0 111.55 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -86.49 162.45 18.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.742 -1.117 . . . . 15.0 110.87 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 8.0 t -116.76 144.82 44.01 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.056 -0.72 . . . . 15.0 109.056 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -111.56 105.11 13.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.78 0.324 . . . . 15.0 110.402 -178.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mt -128.2 134.08 25.85 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.134 -0.485 . . . . 15.0 109.95 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -65.49 123.4 11.39 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.31 2.006 . . . . 15.0 112.217 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.69 156.64 17.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.358 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.0 m -69.92 150.87 46.28 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.857 -0.61 . . . . 15.0 110.573 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.9 60.53 4.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.375 0.607 . . . . 15.0 110.672 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.237 -0.887 . . . . 15.0 109.839 -179.661 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.789 0 N-CA-C 112.28 -0.328 . . . . 15.0 112.28 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 6.0 t -146.42 -157.25 0.79 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.6 -0.518 . . . . 15.0 109.6 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 3.6 p -70.95 101.21 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.856 0.836 . . . . 15.0 109.855 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -116.4 15.73 15.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.206 -0.906 . . . . 15.0 110.601 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -59.33 -45.6 90.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.628 -0.715 . . . . 15.0 110.717 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -97.74 53.37 1.11 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.019 -0.537 . . . . 15.0 109.786 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -39.69 85.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.586 -0.734 . . . . 15.0 111.948 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . 0.521 ' O ' ' HG ' ' B' ' 112' ' ' LEU . . . -74.2 -43.8 55.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.74 0.305 . . . . 15.0 110.53 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.07 -49.7 76.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.955 -0.566 . . . . 15.0 110.707 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.62 -38.28 90.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.829 -0.623 . . . . 15.0 111.146 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.56 -52.44 65.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.938 0.399 . . . . 15.0 110.605 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' B' ' 108' ' ' ALA . 41.7 mt -61.68 -43.96 97.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.83 -0.623 . . . . 15.0 111.076 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -64.12 -44.42 92.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.089 -0.505 . . . . 15.0 111.163 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -66.01 -47.64 73.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.714 -0.221 . . . . 15.0 111.241 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 36.7 tp -60.42 -44.14 96.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.76 0.314 . . . . 15.0 110.808 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -65.96 -46.57 77.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.029 -0.532 . . . . 15.0 110.653 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -62.52 -49.01 77.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.989 -0.551 . . . . 15.0 111.553 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.73 -34.18 75.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 15.0 111.804 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.6 -32.09 60.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.428 0.633 . . . . 15.0 109.956 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -78.38 -17.59 56.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.43 -0.804 . . . . 15.0 111.45 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.34 -24.19 0.45 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.339 0.866 . . . . 15.0 113.339 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -64.21 -59.77 4.02 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.515 0.198 . . . . 15.0 111.204 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -149.01 -31.16 0.24 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.731 0.271 . . . . 15.0 111.731 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.74 -8.71 15.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.376 -0.375 . . . . 15.0 111.594 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 25.1 tp -53.87 -34.05 58.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.386 . . . . 15.0 111.007 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.401 ' CD ' ' HZ3' ' B' ' 129' ' ' LYS . 25.5 mm-40 -64.56 -46.49 82.56 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.072 -0.513 . . . . 15.0 110.266 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 52.9 ttp85 -71.98 -33.2 67.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.271 -0.422 . . . . 15.0 110.233 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -60.48 -39.52 87.98 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 108.342 -0.985 . . . . 15.0 108.342 178.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.401 ' HZ3' ' CD ' ' B' ' 126' ' ' GLU . 17.8 ttmt -60.97 -47.05 88.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.486 -1.234 . . . . 15.0 110.019 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 1.4 m -68.98 -30.3 68.68 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.571 -0.74 . . . . 15.0 110.784 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -69.41 -45.68 68.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 15.0 110.071 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -33.4 68.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.936 -0.575 . . . . 15.0 110.151 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.6 -46.34 89.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.169 -0.923 . . . . 15.0 111.413 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 134' ' ' ASP . . . . . 0.614 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 32.7 t70 -84.54 -35.93 22.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.163 -0.471 . . . . 15.0 112.132 -178.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -62.65 -24.42 67.6 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.225 0.454 . . . . 15.0 112.225 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -63.82 -44.75 92.29 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.173 0.434 . . . . 15.0 112.173 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 137' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 8.2 ptpt -63.24 -30.92 71.97 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.899 0.381 . . . . 15.0 110.354 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -79.12 -36.43 40.62 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.506 -0.553 . . . . 15.0 109.506 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.17 -42.92 95.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.47 -0.786 . . . . 15.0 110.034 179.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.17 93.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.107 -0.497 . . . . 15.0 110.592 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -68.15 -28.44 67.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.792 -0.64 . . . . 15.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -87.45 -55.0 3.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.097 -0.501 . . . . 15.0 111.585 -179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -56.89 -27.44 60.67 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.532 0.567 . . . . 15.0 112.532 -178.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -52.81 -47.98 67.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 15.0 110.632 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -91.2 -41.59 10.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 15.0 111.035 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -55.59 -53.7 53.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.671 -0.695 . . . . 15.0 112.336 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -70.62 -26.09 63.33 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.115 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -69.85 -46.95 64.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.113 -0.494 . . . . 15.0 110.256 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 38.7 tp -67.18 -44.25 80.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.348 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -77.35 97.71 4.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.919 0.39 . . . . 15.0 110.709 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 151' ' ' ASP . . . . . 0.402 ' OD2' ' HD1' ' B' ' 152' ' ' TYR . 8.4 p-10 -77.4 -26.1 51.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.261 -0.427 . . . . 15.0 110.995 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 152' ' ' TYR . . . . . 0.402 ' HD1' ' OD2' ' B' ' 151' ' ' ASP . 3.1 m-85 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.396 -0.812 . . . . 15.0 110.386 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.813 0.339 . . . . 15.0 110.455 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -130.09 128.03 41.05 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.467 -0.333 . . . . 15.0 110.271 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -163.38 161.03 24.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.394 . . . . 15.0 110.514 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 57.1 m -143.56 135.13 26.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.343 -0.389 . . . . 15.0 110.446 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.2 mmt -113.94 160.43 18.82 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.868 0.366 . . . . 15.0 111.176 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -81.49 96.76 7.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.659 -0.7 . . . . 15.0 112.028 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 44.04 -109.41 0.25 Allowed Glycine 0 C--N 1.332 0.313 0 CA-C-N 115.092 -0.958 . . . . 15.0 114.912 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.439 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 71.4 m -68.96 -26.45 65.06 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.417 0.525 . . . . 15.0 112.417 -178.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.86 52.8 50.12 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.517 -0.849 . . . . 15.0 111.681 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -67.8 -17.43 64.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.051 0.453 . . . . 15.0 111.018 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -109.01 24.27 13.37 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.293 0.568 . . . . 15.0 109.763 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -69.53 109.14 4.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.762 -0.653 . . . . 15.0 110.099 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.456 ' HA ' ' NH2' ' A' ' 58' ' ' ARG . 26.6 t0 -113.78 32.46 5.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.397 0.618 . . . . 15.0 109.997 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.87 144.05 28.39 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.52 -0.764 . . . . 15.0 111.733 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -80.06 105.81 11.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.402 0.62 . . . . 15.0 111.022 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.9 tt -158.0 131.52 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.209 -0.905 . . . . 15.0 109.557 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.94 32.99 5.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.023 0.439 . . . . 15.0 110.734 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -137.1 147.22 45.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.069 -0.514 . . . . 15.0 110.516 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.3 p -88.95 177.8 6.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.074 -0.512 . . . . 15.0 110.376 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -70.04 -15.33 62.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 15.0 110.217 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.5 m -88.24 2.23 52.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 15.0 110.69 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.7 24.11 75.24 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 120.946 -0.645 . . . . 15.0 112.596 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.2 mt -96.89 163.49 12.95 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.144 -0.317 . . . . 15.0 110.144 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -88.51 141.31 28.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.05 0.452 . . . . 15.0 111.106 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.549 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 43.0 t -91.38 140.31 29.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.737 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -86.04 147.67 26.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.557 -0.747 . . . . 15.0 109.495 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.23 139.37 50.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.82 0.343 . . . . 15.0 110.145 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -65.17 -23.02 66.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.754 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -101.84 13.84 33.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.19 -0.459 . . . . 15.0 111.29 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -81.2 168.77 18.15 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.624 0.249 . . . . 15.0 110.83 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.415 ' NE2' ' HA ' ' A' ' 35' ' ' GLN . 1.4 mm-40 -118.12 22.47 12.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.395 -0.366 . . . . 15.0 111.845 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.41 133.33 94.39 Favored Pre-proline 0 N--CA 1.45 -0.442 0 N-CA-C 105.974 -1.862 . . . . 15.0 105.974 177.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.31 101.06 1.2 Allowed 'Trans proline' 0 N--CA 1.455 -0.748 0 CA-C-N 119.584 0.887 . . . . 15.0 114.153 -175.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.448 ' CD2' ' HG2' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -122.57 162.91 20.94 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 113.931 -1.486 . . . . 15.0 108.348 175.22 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.19 111.83 23.59 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.536 -0.913 . . . . 15.0 108.536 176.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -171.5 -178.97 2.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.821 0.343 . . . . 15.0 111.055 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.83 25.05 0.73 Allowed Glycine 0 N--CA 1.452 -0.299 0 N-CA-C 111.418 -0.673 . . . . 15.0 111.418 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.401 ' CE2' ' HG3' ' B' ' 129' ' ' LYS . 14.6 m-85 -97.93 109.18 21.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.04 0.447 . . . . 15.0 110.559 -179.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.8 mm -112.02 135.52 21.27 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 115.662 -0.699 . . . . 15.0 109.275 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -50.14 -34.03 37.66 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.934 2.423 . . . . 15.0 113.542 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.59 -16.47 64.19 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.908 0.385 . . . . 15.0 111.455 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -94.06 -11.94 29.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.434 -0.348 . . . . 15.0 110.503 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -134.73 61.96 51.07 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.15 -0.477 . . . . 15.0 110.972 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -73.31 -24.25 16.85 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 121.92 1.747 . . . . 15.0 112.147 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -80.43 -21.74 41.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.664 -0.698 . . . . 15.0 111.099 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt -87.45 0.91 54.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.881 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.1 t30 55.43 53.09 10.28 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.656 -0.702 . . . . 15.0 111.63 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 mp -83.81 110.44 18.35 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.198 -0.667 . . . . 15.0 109.198 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -147.66 150.25 34.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.444 -0.344 . . . . 15.0 110.52 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt 54.76 -136.16 1.33 Allowed 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.739 0.65 . . . . 15.0 111.594 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -127.21 35.07 4.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.512 0.672 . . . . 15.0 109.81 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -83.58 147.34 27.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.543 -0.753 . . . . 15.0 110.499 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 14.8 t -61.62 126.66 28.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.934 -0.575 . . . . 15.0 110.016 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.456 ' NH2' ' HA ' ' A' ' 17' ' ' ASP . 2.2 mmp_? -133.2 165.15 25.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.133 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -136.78 81.93 33.24 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 121.136 0.493 . . . . 15.0 110.125 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -85.52 6.33 5.67 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.578 2.185 . . . . 15.0 112.835 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -110.88 -13.97 14.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.623 0.249 . . . . 15.0 111.227 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 63.45 36.07 11.61 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.005 -0.543 . . . . 15.0 110.774 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.58 -171.74 2.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 15.0 110.907 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.1 mp -51.78 -46.55 64.21 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.182 0.808 . . . . 15.0 113.182 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.4 ' NH2' ' HA ' ' A' ' 81' ' ' ASP . 2.4 ptm180 -152.92 146.41 18.03 Favored Pre-proline 0 N--CA 1.465 0.308 0 C-N-CA 121.019 -0.272 . . . . 15.0 111.597 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.439 ' HD3' ' O ' ' A' ' 12' ' ' SER . 61.0 Cg_exo -51.37 142.35 37.95 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.196 2.597 . . . . 15.0 113.909 -179.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 18.7 p-90 -130.88 176.87 7.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.788 -1.097 . . . . 15.0 109.472 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.549 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -161.93 149.03 14.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.795 0.331 . . . . 15.0 110.995 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -74.4 134.98 42.4 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.4 -0.593 . . . . 15.0 109.4 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.54 174.95 6.86 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 120.652 0.263 . . . . 15.0 110.808 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.14 17.19 23.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.21 0.529 . . . . 15.0 110.384 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.427 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.8 OUTLIER -95.32 134.68 24.09 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.546 -0.752 . . . . 15.0 110.23 -179.691 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 17.0 Cg_exo -66.13 -27.74 49.13 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.368 2.045 . . . . 15.0 112.678 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -87.67 -8.32 56.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.196 -0.456 . . . . 15.0 111.812 -178.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -141.36 108.55 5.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.79 0.329 . . . . 15.0 110.383 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.448 ' HG2' ' CD2' ' A' ' 38' ' ' HIS . 26.6 mtm-85 -67.05 -49.84 63.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.093 -0.503 . . . . 15.0 111.309 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.2 p-90 -147.68 159.49 43.73 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.011 -0.54 . . . . 15.0 109.976 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -145.93 173.36 12.21 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.146 -0.316 . . . . 15.0 110.146 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -95.36 161.76 13.95 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.149 0.499 . . . . 15.0 111.289 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 6.9 t -117.39 160.38 21.25 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.117 -0.697 . . . . 15.0 109.117 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.4 ' HA ' ' NH2' ' A' ' 65' ' ' ARG . 38.0 t70 -111.51 110.74 21.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.033 0.444 . . . . 15.0 111.253 -179.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.8 mt -124.37 130.18 24.42 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.787 -0.642 . . . . 15.0 109.933 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.94 123.57 12.85 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.672 2.248 . . . . 15.0 112.07 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -104.01 159.57 15.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.222 -0.445 . . . . 15.0 111.02 -178.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 55.7 m -73.62 165.43 25.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.078 -0.51 . . . . 15.0 110.275 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.26 8.31 24.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.883 0.373 . . . . 15.0 111.159 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.497 -0.763 . . . . 15.0 110.784 -179.85 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 112.154 -0.378 . . . . 15.0 112.154 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 4.1 t -149.12 -153.04 0.47 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.091 -0.707 . . . . 15.0 109.091 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . 0.417 HG13 ' O ' ' B' ' 103' ' ' VAL . 7.0 p -77.0 81.0 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-O 122.323 1.059 . . . . 15.0 110.361 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -92.35 -2.22 56.52 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.478 -0.783 . . . . 15.0 111.134 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -62.37 -42.25 99.26 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.154 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -87.26 50.38 2.0 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.716 -0.475 . . . . 15.0 109.716 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.49 -46.23 76.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.365 -0.834 . . . . 15.0 112.302 -178.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . 0.454 ' O ' ' HG ' ' B' ' 112' ' ' LEU . . . -81.67 -44.55 16.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.876 0.324 . . . . 15.0 111.876 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.27 -48.69 79.64 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.438 -0.347 . . . . 15.0 111.793 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.71 78.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 15.0 110.762 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.44 -50.95 67.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 15.0 110.763 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' B' ' 108' ' ' ALA . 83.0 mt -58.54 -42.69 88.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 15.0 110.946 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -68.36 -42.76 78.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 15.0 111.147 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 38.5 ttm-85 -66.84 -46.98 73.36 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.107 0.254 . . . . 15.0 110.61 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 18.5 tp -55.65 -48.8 74.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.896 -0.593 . . . . 15.0 110.442 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -63.37 -45.87 89.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.455 -0.793 . . . . 15.0 110.614 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -62.27 -41.37 98.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.501 . . . . 15.0 111.474 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -66.79 -33.63 76.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.959 0.409 . . . . 15.0 110.947 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -79.08 -38.55 36.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.134 0.492 . . . . 15.0 110.389 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.86 -18.34 62.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.875 -0.602 . . . . 15.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -52.36 -24.98 8.58 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.761 -0.654 . . . . 15.0 112.168 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -59.3 -71.32 0.12 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.676 0.274 . . . . 15.0 111.114 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -149.35 16.66 0.92 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 15.0 111.807 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -111.33 3.31 18.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.927 0.394 . . . . 15.0 110.033 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 29.6 tp -60.04 -39.06 84.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.716 -0.674 . . . . 15.0 111.441 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -61.52 -43.99 97.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.174 -0.466 . . . . 15.0 110.803 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 24.2 ttp85 -77.0 -36.86 56.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.39 -0.368 . . . . 15.0 110.717 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -58.53 -36.26 73.58 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.539 -0.541 . . . . 15.0 109.539 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.401 ' HG3' ' CE2' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -58.57 -52.91 63.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.459 -0.791 . . . . 15.0 110.279 179.262 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 6.2 m -67.89 -29.84 69.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.788 -0.642 . . . . 15.0 111.074 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -70.04 -42.65 72.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.819 -0.437 . . . . 15.0 109.819 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -32.26 66.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.065 -0.516 . . . . 15.0 110.179 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.17 -52.55 64.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.373 -0.83 . . . . 15.0 111.142 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 134' ' ' ASP . . . . . 0.559 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 0.7 OUTLIER -79.04 -26.07 43.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.053 -0.521 . . . . 15.0 111.903 -178.381 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -73.44 -30.1 62.99 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 121.143 -0.223 . . . . 15.0 111.502 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -68.81 -40.59 79.48 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.02 0.378 . . . . 15.0 112.02 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 137' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 13.9 ptpt -64.41 -29.08 70.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.19 0.519 . . . . 15.0 110.072 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -73.7 -32.58 64.0 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.154 -0.684 . . . . 15.0 109.154 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -68.15 -24.37 64.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.399 -0.819 . . . . 15.0 110.61 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -59.9 -56.46 21.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.384 -0.371 . . . . 15.0 111.104 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.13 -27.18 60.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.309 -0.405 . . . . 15.0 111.219 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 42.7 ttp85 -71.98 -55.59 7.17 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.921 -0.312 . . . . 15.0 110.598 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -62.08 -32.02 72.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.381 -0.372 . . . . 15.0 111.997 -179.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.01 -45.63 71.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 15.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -90.36 -38.32 13.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.1 -0.5 . . . . 15.0 111.182 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.13 -51.92 67.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.921 -0.581 . . . . 15.0 112.442 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.92 -30.66 70.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.733 0.302 . . . . 15.0 111.122 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -71.77 -23.09 61.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.398 0.618 . . . . 15.0 110.054 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 24.4 tp -91.35 -54.47 3.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.747 -0.661 . . . . 15.0 109.883 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -93.6 79.74 4.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.778 -0.647 . . . . 15.0 110.294 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -73.07 -16.55 61.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.858 -0.61 . . . . 15.0 111.274 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 . . . . . 0 C--O 1.245 0.819 0 CA-C-O 118.282 -0.866 . . . . 15.0 110.195 178.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.877 0.37 . . . . 15.0 111.304 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -116.83 114.43 23.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.377 -0.374 . . . . 15.0 110.361 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -158.53 175.25 13.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.329 -0.396 . . . . 15.0 111.114 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.3 m -149.35 144.13 26.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.119 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.1 mmt -113.42 166.36 11.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.502 -0.317 . . . . 15.0 110.311 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -88.25 97.69 11.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.101 0.408 . . . . 15.0 112.101 -178.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 50.85 -117.39 5.29 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.331 -0.85 . . . . 15.0 114.147 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.507 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -64.86 -24.87 67.67 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.475 0.31 . . . . 15.0 111.774 -179.206 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.02 49.09 49.96 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.643 -0.789 . . . . 15.0 112.071 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -65.04 -29.27 70.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.387 0.613 . . . . 15.0 110.31 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -94.47 26.92 3.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.62 -0.718 . . . . 15.0 110.656 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -74.68 109.66 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.701 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -113.28 18.9 17.5 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.688 -0.856 . . . . 15.0 108.688 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.6 155.44 33.11 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.253 -0.885 . . . . 15.0 112.669 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -96.33 106.03 18.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.027 0.442 . . . . 15.0 110.791 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.9 tt -159.07 129.82 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.92 -0.582 . . . . 15.0 109.75 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.1 21.9 12.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.17 -0.468 . . . . 15.0 111.222 -179.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -131.95 146.39 52.06 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.368 -0.378 . . . . 15.0 110.306 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.4 p -87.17 179.68 6.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -65.24 -22.49 66.88 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.876 0.37 . . . . 15.0 111.377 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 m -88.23 2.94 51.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.302 -0.408 . . . . 15.0 111.075 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.77 20.02 79.67 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.924 -0.655 . . . . 15.0 112.781 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.5 mt -91.92 150.71 20.88 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.642 -0.328 . . . . 15.0 110.296 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -71.91 138.82 48.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.121 -0.49 . . . . 15.0 111.508 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.59 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 8.0 t -95.01 138.91 32.11 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.78 -0.646 . . . . 15.0 110.43 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -83.43 149.25 26.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.989 -0.55 . . . . 15.0 109.851 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.39 139.8 46.16 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.28 -0.267 . . . . 15.0 110.28 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -66.63 -26.43 67.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.216 0.531 . . . . 15.0 110.758 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.01 -0.05 57.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.008 -0.542 . . . . 15.0 111.235 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.9 t -80.31 162.44 24.56 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.832 -0.803 . . . . 15.0 108.832 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -124.71 36.64 4.56 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.669 -0.412 . . . . 15.0 111.405 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.07 140.2 95.77 Favored Pre-proline 0 N--CA 1.453 -0.308 0 N-CA-C 105.66 -1.978 . . . . 15.0 105.66 176.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -71.64 98.6 0.88 Allowed 'Trans proline' 0 N--CA 1.456 -0.695 0 CA-C-N 120.416 1.184 . . . . 15.0 113.998 -175.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -124.04 164.16 19.96 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 113.214 -1.812 . . . . 15.0 107.827 175.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.62 112.39 21.55 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 107.889 -1.152 . . . . 15.0 107.889 176.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -171.39 179.2 3.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.478 0.656 . . . . 15.0 112.151 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -155.18 24.98 0.6 Allowed Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 109.848 -1.301 . . . . 15.0 109.848 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -90.3 113.01 24.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.993 -0.604 . . . . 15.0 111.74 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.3 mm -119.46 132.23 24.08 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 108.82 -0.808 . . . . 15.0 108.82 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -48.97 -32.71 23.93 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.199 2.599 . . . . 15.0 113.685 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -20.84 65.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.807 0.336 . . . . 15.0 111.609 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -88.46 -20.42 25.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.043 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.441 ' N ' ' HD3' ' A' ' 48' ' ' PRO . 8.3 m-85 -132.09 61.74 59.55 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.649 -0.251 . . . . 15.0 111.52 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 47' ' ' PHE . 4.4 Cg_exo -79.1 -21.19 9.5 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.443 2.095 . . . . 15.0 111.74 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -79.3 -11.74 59.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.6 -0.727 . . . . 15.0 111.081 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -106.05 9.73 32.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.964 0.411 . . . . 15.0 110.431 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.6 t30 51.3 60.75 3.64 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.318 -0.855 . . . . 15.0 111.501 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 tp -84.45 109.98 18.3 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.883 -0.784 . . . . 15.0 108.883 178.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -149.06 146.79 27.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.313 -0.403 . . . . 15.0 111.05 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 50.48 -138.94 0.95 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.636 -0.711 . . . . 15.0 111.714 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.3 p-10 -116.78 43.69 2.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.454 0.645 . . . . 15.0 110.799 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -88.56 141.06 28.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.633 -0.712 . . . . 15.0 110.728 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.8 t -67.52 129.78 40.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.039 -0.528 . . . . 15.0 109.632 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 mmt85 -138.87 167.25 22.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.687 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -127.68 86.05 59.3 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 109.722 -0.473 . . . . 15.0 109.722 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -87.99 -0.52 7.08 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.682 2.255 . . . . 15.0 113.637 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -107.97 -13.0 15.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.852 0.358 . . . . 15.0 110.728 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 67.08 33.85 5.42 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 109.275 -0.639 . . . . 15.0 109.275 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.39 -170.86 2.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.161 -0.927 . . . . 15.0 111.058 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.44 ' O ' ' HA ' ' A' ' 12' ' ' SER . 24.2 mt -49.42 -47.81 47.69 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 113.153 0.797 . . . . 15.0 113.153 -178.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -159.45 150.68 16.32 Favored Pre-proline 0 C--N 1.33 -0.281 0 C-N-CA 120.863 -0.335 . . . . 15.0 111.535 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.507 ' HD3' ' O ' ' A' ' 12' ' ' SER . 81.0 Cg_exo -47.64 140.8 16.38 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.319 2.679 . . . . 15.0 113.686 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 -137.53 175.79 9.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.012 -0.995 . . . . 15.0 109.834 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.59 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 1.1 p -164.28 159.98 20.52 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.638 0.256 . . . . 15.0 110.874 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -79.68 148.61 31.52 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.652 -0.499 . . . . 15.0 109.652 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.69 179.54 5.33 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.494 -0.321 . . . . 15.0 111.376 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.6 6.19 19.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.482 0.658 . . . . 15.0 110.534 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -106.15 122.62 41.64 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.586 -0.734 . . . . 15.0 109.507 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.78 -21.65 26.46 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.007 2.471 . . . . 15.0 113.653 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -79.48 -11.64 59.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.619 -0.264 . . . . 15.0 111.483 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.6 tptp -133.95 123.67 25.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.145 0.497 . . . . 15.0 110.409 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.07 -63.08 1.39 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.108 -0.496 . . . . 15.0 111.303 -178.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -147.24 150.85 35.65 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.51 -0.552 . . . . 15.0 109.51 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -135.47 163.36 30.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.267 0.555 . . . . 15.0 111.668 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -88.29 161.75 16.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.061 -0.972 . . . . 15.0 111.928 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.3 t -119.48 137.7 53.62 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.655 -0.869 . . . . 15.0 108.655 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -97.92 107.76 20.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.985 0.421 . . . . 15.0 111.144 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.6 mt -123.54 128.34 25.24 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.758 -0.656 . . . . 15.0 110.254 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.63 127.4 23.52 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.891 2.394 . . . . 15.0 113.04 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.95 168.09 9.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.774 -0.648 . . . . 15.0 110.418 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 23.0 m -76.59 150.16 36.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.672 0.272 . . . . 15.0 110.744 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.86 -22.16 46.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.114 -0.494 . . . . 15.0 111.578 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.649 -0.691 . . . . 15.0 110.984 -179.581 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 111.771 -0.532 . . . . 15.0 111.771 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 14.3 t -123.65 -167.68 1.66 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.412 -0.588 . . . . 15.0 109.412 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 2.8 p -72.05 88.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 122.265 1.031 . . . . 15.0 109.793 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -105.74 39.92 1.67 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.952 -1.022 . . . . 15.0 111.05 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -58.68 -45.7 88.85 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.7 -0.682 . . . . 15.0 110.984 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -84.16 62.56 7.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.269 -0.423 . . . . 15.0 110.148 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' B' ' 111' ' ' GLU . 0.2 OUTLIER -66.27 -58.76 4.67 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.022 -0.535 . . . . 15.0 111.848 -179.088 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.35 -35.17 31.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.446 -0.343 . . . . 15.0 111.867 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.28 -49.84 75.44 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.136 -0.484 . . . . 15.0 111.748 -178.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.24 -25.89 58.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.717 0.294 . . . . 15.0 111.048 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' B' ' 107' ' ' THR . 38.8 tt0 -56.87 -50.19 73.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.011 -0.541 . . . . 15.0 110.683 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 42.4 mt -68.51 -39.32 81.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.806 -0.633 . . . . 15.0 110.62 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -62.11 -51.1 69.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.118 -0.492 . . . . 15.0 111.182 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -62.81 -42.84 99.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.715 -0.221 . . . . 15.0 110.654 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 14.4 tp -56.84 -50.94 70.91 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.16 -0.473 . . . . 15.0 110.308 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -65.74 -42.49 90.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.797 -0.638 . . . . 15.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -60.42 -39.84 88.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.525 -0.307 . . . . 15.0 111.091 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -67.08 -40.1 86.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.637 -0.256 . . . . 15.0 110.695 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.2 -37.95 69.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.175 0.512 . . . . 15.0 110.612 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.92 -19.0 60.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.259 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -58.5 -17.12 18.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 15.0 111.803 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -69.34 -56.0 8.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.543 -0.299 . . . . 15.0 111.076 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -153.54 -25.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.36 0.504 . . . . 15.0 112.36 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -80.91 15.83 1.67 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.729 0.3 . . . . 15.0 111.58 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 15.8 tp -65.0 -27.94 69.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.882 0.372 . . . . 15.0 110.587 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.484 ' HA ' ' HE3' ' B' ' 129' ' ' LYS . 62.5 mm-40 -66.33 -44.31 83.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.354 0.597 . . . . 15.0 109.598 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 66.8 ttp85 -70.32 -32.49 70.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.671 -0.695 . . . . 15.0 109.885 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.79 -39.93 93.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.481 -0.782 . . . . 15.0 110.038 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.484 ' HE3' ' HA ' ' B' ' 126' ' ' GLU . 21.5 mtmt -62.39 -55.91 23.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 15.0 110.868 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 14.7 m -60.6 -36.3 78.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.916 -0.584 . . . . 15.0 111.51 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -66.47 -36.94 84.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.419 -0.355 . . . . 15.0 110.669 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -30.55 69.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 15.0 110.826 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.3 -47.77 69.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.743 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 134' ' ' ASP . . . . . 0.576 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 18.2 t70 -73.19 -39.42 65.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.143 -0.481 . . . . 15.0 111.368 -178.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -62.98 -32.19 73.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.524 -0.307 . . . . 15.0 111.352 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.43 -46.74 78.74 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.921 0.341 . . . . 15.0 111.921 -178.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 137' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 6.3 ptpt -63.91 -27.9 69.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.759 0.314 . . . . 15.0 110.76 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -80.4 -34.75 36.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.246 0.546 . . . . 15.0 109.957 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -65.29 -41.09 94.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.539 -0.755 . . . . 15.0 110.891 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.55 -27.88 68.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.336 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.79 -35.98 62.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 15.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 15.7 ttp85 -82.54 -48.15 11.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.35 -0.386 . . . . 15.0 110.958 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -57.82 -27.09 62.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.995 -0.548 . . . . 15.0 112.308 -178.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -58.88 -45.04 91.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.865 0.364 . . . . 15.0 110.949 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.23 -34.64 15.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.253 -0.43 . . . . 15.0 110.841 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -59.35 -53.56 56.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.708 -0.678 . . . . 15.0 111.869 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.45 -20.89 62.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.253 0.549 . . . . 15.0 111.123 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -77.65 -34.53 53.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.847 -0.615 . . . . 15.0 110.392 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 11.8 tp -85.21 -45.37 12.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.942 -0.572 . . . . 15.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -112.74 107.72 16.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.262 -0.426 . . . . 15.0 110.599 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -69.37 -31.79 70.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 15.0 110.895 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.325 -0.845 . . . . 15.0 110.096 179.334 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.004 -0.369 . . . . 15.0 110.004 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -134.32 111.29 10.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.857 0.361 . . . . 15.0 111.076 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -152.01 167.07 29.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.237 -0.438 . . . . 15.0 110.647 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 69.6 m -147.8 139.69 24.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.469 . . . . 15.0 110.093 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 19.1 mmt -115.02 161.86 17.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.931 0.396 . . . . 15.0 111.321 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -77.79 97.03 5.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.726 -0.67 . . . . 15.0 111.517 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 46.73 -112.71 0.96 Allowed Glycine 0 C--N 1.333 0.391 0 CA-C-N 115.913 -0.585 . . . . 15.0 114.123 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.55 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -66.64 -29.89 70.03 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.096 0.406 . . . . 15.0 112.096 -178.844 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.6 59.47 8.18 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.925 -0.655 . . . . 15.0 112.098 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -35.37 71.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.033 0.444 . . . . 15.0 110.303 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -87.79 27.38 1.16 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.83 -0.623 . . . . 15.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -74.38 117.03 15.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.808 -0.633 . . . . 15.0 110.311 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -125.9 32.25 5.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.332 0.587 . . . . 15.0 110.007 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.81 161.64 54.28 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.451 -0.795 . . . . 15.0 112.275 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -90.21 104.99 17.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.044 0.449 . . . . 15.0 110.894 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 tt -159.22 128.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.703 -0.68 . . . . 15.0 109.923 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.32 25.48 6.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.883 -0.598 . . . . 15.0 110.58 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -131.9 152.85 50.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.852 -0.613 . . . . 15.0 110.266 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.7 p -92.04 175.62 6.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.302 -0.408 . . . . 15.0 110.919 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -67.04 -19.01 65.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.657 0.265 . . . . 15.0 111.076 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -88.96 -0.99 57.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.86 0.362 . . . . 15.0 110.964 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.83 21.38 66.12 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.879 -0.677 . . . . 15.0 112.558 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.3 mt -96.28 155.18 16.87 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.317 -0.253 . . . . 15.0 110.317 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -74.26 141.98 45.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.138 0.494 . . . . 15.0 111.16 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.623 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 36.9 t -91.41 138.57 31.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.771 -0.649 . . . . 15.0 110.792 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -85.14 146.16 27.26 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.071 -0.714 . . . . 15.0 109.071 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.478 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -71.74 142.97 49.76 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 121.122 -0.231 . . . . 15.0 110.466 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -66.02 -24.48 66.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.069 0.461 . . . . 15.0 110.882 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -104.07 13.79 31.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.062 -0.517 . . . . 15.0 110.959 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.478 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 30.5 t -70.47 166.6 20.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 15.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -122.78 17.38 10.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.903 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.0 m -66.32 144.48 98.72 Favored Pre-proline 0 C--O 1.235 0.319 0 N-CA-C 105.895 -1.891 . . . . 15.0 105.895 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.41 ' CG ' ' HB3' ' B' ' 102' ' ' SER . 2.9 Cg_endo -76.25 98.9 1.23 Allowed 'Trans proline' 0 N--CA 1.448 -1.175 0 CA-C-N 120.091 1.068 . . . . 15.0 114.285 -174.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.435 ' NE2' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -124.35 164.08 20.38 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 113.443 -1.708 . . . . 15.0 108.181 174.445 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.56 112.53 24.92 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 119.457 -0.897 . . . . 15.0 109.267 177.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -170.6 -177.5 2.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.669 0.271 . . . . 15.0 111.265 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.51 35.25 0.75 Allowed Glycine 0 C--N 1.33 0.236 0 C-N-CA 121.033 -0.603 . . . . 15.0 111.828 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.515 ' HH ' HD11 ' B' ' 128' ' ' LEU . 39.5 m-85 -106.77 112.49 25.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.883 0.373 . . . . 15.0 110.805 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.8 mm -116.59 136.56 23.18 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.813 -0.63 . . . . 15.0 109.477 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -50.47 -33.58 38.72 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.821 2.347 . . . . 15.0 112.859 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 m -68.08 -22.63 64.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.356 . . . . 15.0 111.065 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -90.2 -12.69 37.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 15.0 110.469 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -136.49 60.71 33.47 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.42 -11.37 15.86 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.236 1.957 . . . . 15.0 111.666 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.2 p-10 -89.93 -7.47 54.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.436 -0.802 . . . . 15.0 110.566 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -106.94 2.94 25.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 15.0 110.306 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 56.8 t30 53.88 54.91 9.08 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.465 -0.789 . . . . 15.0 111.856 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 mp -84.3 110.08 18.31 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.47 -0.567 . . . . 15.0 109.47 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -142.84 143.61 32.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.55 -0.295 . . . . 15.0 110.812 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 53.16 -136.44 1.37 Allowed 'General case' 0 CA--C 1.532 0.264 0 O-C-N 123.855 0.722 . . . . 15.0 111.762 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -121.43 46.65 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.186 0.517 . . . . 15.0 110.878 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -97.17 145.23 26.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.244 -0.435 . . . . 15.0 110.559 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 41.2 t -63.09 131.26 47.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 15.0 110.549 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -137.56 164.31 29.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 15.0 110.565 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -126.43 81.85 67.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.024 -0.732 . . . . 15.0 109.024 178.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -86.87 -2.44 8.14 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.537 2.158 . . . . 15.0 113.63 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.493 ' OD2' ' HG3' ' B' ' 129' ' ' LYS . 32.2 t70 -107.63 -11.94 15.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.716 0.293 . . . . 15.0 111.609 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.436 HH12 ' HD2' ' A' ' 62' ' ' ARG . 31.4 mtm105 65.63 32.29 9.28 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.474 -0.565 . . . . 15.0 109.474 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -78.04 -171.95 2.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.637 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' A' ' 12' ' ' SER . 54.9 mt -50.72 -41.94 56.73 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.906 0.706 . . . . 15.0 112.906 -178.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.522 ' HD2' ' O ' ' A' ' 80' ' ' CYS . 17.4 ptt180 -162.87 149.55 10.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.559 0.219 . . . . 15.0 111.372 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.55 ' HD3' ' O ' ' A' ' 12' ' ' SER . 58.5 Cg_exo -50.5 148.5 15.01 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.298 2.665 . . . . 15.0 113.727 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -138.18 177.9 7.53 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.951 -1.022 . . . . 15.0 109.305 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.623 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -160.82 149.77 16.71 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 121.044 -0.263 . . . . 15.0 111.008 179.724 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.539 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 56.6 m-85 -74.78 146.14 42.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 15.0 110.051 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.58 158.95 16.14 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.582 -0.281 . . . . 15.0 110.829 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 p -90.32 -3.51 57.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.248 0.547 . . . . 15.0 110.705 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -76.51 126.56 86.04 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.382 -0.827 . . . . 15.0 110.657 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -62.07 -17.98 59.19 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.763 2.309 . . . . 15.0 113.197 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -94.56 1.41 55.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.321 -0.4 . . . . 15.0 111.828 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.33 119.04 6.11 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.952 -0.299 . . . . 15.0 110.637 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.479 HH21 ' HB3' ' B' ' 139' ' ' GLU . 34.3 mtm-85 -72.41 -43.88 63.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.445 -0.343 . . . . 15.0 110.821 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.539 ' HB3' ' CD1' ' A' ' 69' ' ' PHE . 51.9 p-90 -154.93 163.5 40.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.139 -0.482 . . . . 15.0 110.028 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -139.65 167.16 22.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.878 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -81.96 160.01 23.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.488 -0.778 . . . . 15.0 110.581 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.522 ' O ' ' HD2' ' A' ' 65' ' ' ARG . 7.4 t -119.4 143.26 47.55 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.351 -0.611 . . . . 15.0 109.351 178.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -103.47 108.91 20.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.99 0.424 . . . . 15.0 110.413 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.8 mt -127.98 129.49 23.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.828 -0.624 . . . . 15.0 109.895 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -65.35 126.65 16.66 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.661 2.24 . . . . 15.0 112.234 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.75 155.85 18.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.509 -0.314 . . . . 15.0 110.756 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 55.7 m -69.01 153.92 42.97 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.392 -0.367 . . . . 15.0 110.169 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.63 -26.08 63.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.195 0.521 . . . . 15.0 110.576 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.415 -0.802 . . . . 15.0 109.906 179.643 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 111.847 -0.501 . . . . 15.0 111.847 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' SER . . . . . 0.41 ' HB3' ' CG ' ' A' ' 37' ' ' PRO . 19.5 m -126.21 -177.87 4.12 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.915 -0.402 . . . . 15.0 109.915 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 5.2 p -72.58 101.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.778 0.799 . . . . 15.0 109.954 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -109.3 28.89 8.06 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.448 -0.796 . . . . 15.0 110.618 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -64.65 -42.09 95.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.71 -0.677 . . . . 15.0 110.725 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.455 ' HB3' ' HB2' ' B' ' 109' ' ' ASP . 2.6 mm? -96.55 62.98 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.879 -0.6 . . . . 15.0 110.386 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -43.44 98.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.008 -0.542 . . . . 15.0 111.554 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.65 -50.15 73.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.247 -0.433 . . . . 15.0 111.444 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . 0.455 ' HB2' ' HB3' ' B' ' 106' ' ' LEU . 14.2 m-20 -60.55 -43.7 96.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.255 -0.43 . . . . 15.0 111.159 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.13 -48.49 81.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.98 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -62.73 -47.57 82.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 15.0 111.322 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 92.2 mt -58.96 -42.03 88.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.519 -0.31 . . . . 15.0 111.316 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -70.14 -44.9 67.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.208 -0.451 . . . . 15.0 110.19 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -60.17 -47.29 86.57 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.708 -0.678 . . . . 15.0 111.104 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 32.4 tp -62.63 -45.41 92.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 15.0 110.525 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -62.99 -46.68 86.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.867 -0.606 . . . . 15.0 111.109 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -60.98 -38.52 86.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.229 -0.442 . . . . 15.0 110.691 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -66.12 -39.86 90.23 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.013 -0.539 . . . . 15.0 111.084 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.62 -32.24 62.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.032 0.444 . . . . 15.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -81.17 -18.44 46.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.825 -0.625 . . . . 15.0 111.561 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -51.4 -27.43 10.04 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.093 -0.503 . . . . 15.0 112.245 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -58.76 -63.09 1.42 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.545 -0.298 . . . . 15.0 111.367 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -148.9 -29.87 0.27 Allowed 'General case' 0 C--O 1.233 0.229 0 N-CA-C 111.777 0.288 . . . . 15.0 111.777 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.1 -1.47 2.18 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.395 -0.366 . . . . 15.0 111.835 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 14.7 tp -60.32 -23.84 64.52 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.052 0.454 . . . . 15.0 110.291 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.56 ' HA ' ' HE2' ' B' ' 129' ' ' LYS . 32.9 mm-40 -65.4 -43.93 89.09 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.761 -0.654 . . . . 15.0 109.674 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 62.6 ttp85 -81.15 -26.44 36.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.882 -0.599 . . . . 15.0 110.149 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.515 HD11 ' HH ' ' A' ' 42' ' ' TYR . 1.6 tm? -54.19 -50.5 66.92 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.604 -0.726 . . . . 15.0 111.074 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.56 ' HE2' ' HA ' ' B' ' 126' ' ' GLU . 23.4 pttt -67.76 -37.28 81.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.625 -0.261 . . . . 15.0 111.476 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 1.7 m -67.22 -38.63 85.57 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.387 0.613 . . . . 15.0 110.296 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 131' ' ' GLU . . . . . 0.418 ' HG2' ' CD2' ' B' ' 135' ' ' HIS . 17.5 tt0 -65.53 -32.67 74.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.619 -0.718 . . . . 15.0 110.002 179.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -43.38 71.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.684 -0.689 . . . . 15.0 110.965 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 133' ' ' HIS . . . . . 0.401 ' O ' ' HE3' ' B' ' 137' ' ' LYS . 51.2 m80 -57.6 -52.75 64.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.061 -0.518 . . . . 15.0 112.235 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.57 -29.03 62.17 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.052 0.39 . . . . 15.0 112.052 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 135' ' ' HIS . . . . . 0.418 ' CD2' ' HG2' ' B' ' 131' ' ' GLU . 1.6 m-70 -77.62 -38.7 47.47 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.335 0.494 . . . . 15.0 112.335 -179.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -62.75 -44.49 96.06 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.879 0.326 . . . . 15.0 111.879 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 137' ' ' LYS . . . . . 0.401 ' HE3' ' O ' ' B' ' 133' ' ' HIS . 17.3 ptpt -61.84 -25.58 67.61 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.997 0.427 . . . . 15.0 110.669 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -85.59 -42.53 14.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.133 0.492 . . . . 15.0 109.702 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . 0.479 ' HB3' HH21 ' A' ' 76' ' ' ARG . 0.9 OUTLIER -58.68 -40.31 83.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.326 -0.852 . . . . 15.0 110.355 179.615 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.96 -33.36 74.16 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.947 -0.569 . . . . 15.0 111.307 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -72.6 -38.43 67.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.216 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -71.55 -47.74 53.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.829 -0.623 . . . . 15.0 110.41 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . 0.438 ' HE3' ' HG ' ' B' ' 106' ' ' LEU . 36.8 mmtm -61.0 -23.21 65.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.92 -0.582 . . . . 15.0 112.55 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -57.39 -54.2 49.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.979 0.419 . . . . 15.0 110.997 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' B' ' 145' ' ' LEU . 3.7 mm? -89.8 -28.23 19.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.155 -0.475 . . . . 15.0 111.387 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -63.71 -53.96 43.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.701 -0.227 . . . . 15.0 111.586 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -68.96 -26.26 64.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.021 0.439 . . . . 15.0 111.31 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -76.48 -39.28 53.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.234 -0.439 . . . . 15.0 110.543 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 5.3 tp -75.67 -56.62 4.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.064 -0.516 . . . . 15.0 110.39 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -87.83 110.89 20.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.787 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -84.69 -46.06 11.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.129 -0.487 . . . . 15.0 110.166 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.97 -0.538 . . . . 15.0 109.662 178.934 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.234 0 N-CA-C 110.089 -0.337 . . . . 15.0 110.089 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -141.92 115.66 9.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.681 0.277 . . . . 15.0 110.517 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -164.1 169.06 18.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.939 -0.573 . . . . 15.0 110.003 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.1 m -145.72 144.0 30.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.525 -0.307 . . . . 15.0 110.608 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.1 mmt -115.2 166.13 12.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.749 -0.205 . . . . 15.0 110.52 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -81.17 95.59 6.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.77 0.319 . . . . 15.0 111.171 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 47.56 -109.53 0.46 Allowed Glycine 0 CA--C 1.517 0.198 0 CA-C-N 115.456 -0.793 . . . . 15.0 114.07 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.7 m -71.63 -33.76 69.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.807 0.337 . . . . 15.0 111.24 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.19 61.38 4.28 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.549 -0.834 . . . . 15.0 112.024 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -63.76 -31.84 73.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.4 0.619 . . . . 15.0 110.336 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -96.02 28.39 3.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.285 -0.871 . . . . 15.0 111.029 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -67.16 109.18 2.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.951 0.405 . . . . 15.0 110.644 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -112.26 16.22 20.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.308 0.575 . . . . 15.0 110.141 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.47 145.66 48.92 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.655 -0.702 . . . . 15.0 111.762 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -83.53 105.76 14.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.001 0.429 . . . . 15.0 110.501 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.4 tt -155.88 133.42 2.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.769 -0.65 . . . . 15.0 109.899 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.99 35.82 4.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.209 0.528 . . . . 15.0 110.667 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -133.3 148.8 51.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.953 -0.567 . . . . 15.0 110.664 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.6 p -95.47 -175.87 3.6 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.855 -0.611 . . . . 15.0 110.421 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -64.89 -24.2 67.46 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.679 0.276 . . . . 15.0 111.309 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.01 3.34 51.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.971 0.415 . . . . 15.0 110.929 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.26 12.03 84.5 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.797 -0.716 . . . . 15.0 112.376 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.4 mt -73.03 153.74 40.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.854 0.359 . . . . 15.0 110.767 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.65 137.32 56.63 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.567 -0.742 . . . . 15.0 111.674 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 7.1 t -99.18 130.63 45.5 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.496 -0.774 . . . . 15.0 110.16 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -83.88 147.09 27.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.981 -0.554 . . . . 15.0 110.048 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.569 ' HB3' ' OG ' ' A' ' 34' ' ' SER . . . -72.28 148.88 45.0 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 120.904 0.383 . . . . 15.0 110.507 179.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -70.6 -19.96 62.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.162 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -103.51 12.01 35.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.897 -0.592 . . . . 15.0 111.514 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.569 ' OG ' ' HB3' ' A' ' 31' ' ' ALA . 57.7 m -75.08 142.84 43.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.745 0.307 . . . . 15.0 110.595 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -101.37 19.0 18.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.953 0.406 . . . . 15.0 110.962 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.61 144.27 97.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 N-CA-C 106.655 -1.609 . . . . 15.0 106.655 177.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -70.9 102.6 1.23 Allowed 'Trans proline' 0 N--CA 1.456 -0.684 0 CA-C-N 120.397 1.177 . . . . 15.0 112.663 -177.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -119.69 163.17 17.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.088 -1.415 . . . . 15.0 108.373 176.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.81 111.86 24.75 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.308 -0.997 . . . . 15.0 108.308 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -172.48 -176.46 1.55 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.049 0.452 . . . . 15.0 111.168 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -146.79 33.32 1.4 Allowed Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.577 -0.738 . . . . 15.0 111.513 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -113.03 105.13 13.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.067 0.46 . . . . 15.0 111.584 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.9 mm -106.11 134.75 19.62 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.067 -0.716 . . . . 15.0 109.067 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -51.42 -31.58 39.15 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.043 2.496 . . . . 15.0 113.741 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -75.44 -8.83 57.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.949 0.404 . . . . 15.0 111.621 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -92.95 -22.37 19.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 15.0 110.28 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -134.0 64.55 66.81 Favored Pre-proline 0 C--O 1.235 0.333 0 CA-C-N 116.125 -0.489 . . . . 15.0 110.666 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.44 -10.89 18.98 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.207 1.938 . . . . 15.0 112.223 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -85.19 -20.36 30.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 15.0 111.024 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -92.45 3.19 55.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.064 0.459 . . . . 15.0 110.632 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.6 t30 54.7 60.8 3.29 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 114.987 -1.006 . . . . 15.0 112.11 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.59 109.23 19.5 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.877 -0.786 . . . . 15.0 108.877 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -146.25 144.83 30.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.447 -0.342 . . . . 15.0 110.417 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt 55.08 -146.39 0.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.789 0.681 . . . . 15.0 112.198 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.512 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 29.9 p-10 -113.18 38.15 2.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.034 0.445 . . . . 15.0 111.722 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -90.94 141.68 28.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.242 -0.435 . . . . 15.0 110.354 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 10.6 t -59.14 129.63 43.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.319 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.405 HH12 ' HD2' ' A' ' 58' ' ' ARG . 3.1 mmp_? -136.57 169.86 17.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.146 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -142.58 85.22 10.48 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.263 0.554 . . . . 15.0 110.083 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -87.04 -3.89 7.95 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 122.439 2.092 . . . . 15.0 112.377 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.56 ' OD1' ' HB3' ' A' ' 63' ' ' ASP . 24.7 t70 -91.48 -24.81 19.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.251 -0.432 . . . . 15.0 110.779 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.0 mtm105 73.77 25.04 2.04 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.675 -0.693 . . . . 15.0 109.824 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.56 ' HB3' ' OD1' ' A' ' 61' ' ' ASP . 2.3 p-10 -75.65 -171.92 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.749 -0.66 . . . . 15.0 112.149 -179.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.6 mp -56.84 -36.31 69.86 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.403 1.26 . . . . 15.0 114.403 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -157.13 148.53 16.91 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 118.648 0.658 . . . . 15.0 112.244 -178.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -58.67 148.55 81.81 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.966 2.444 . . . . 15.0 112.608 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 18.1 p-90 -144.17 176.53 9.25 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.433 -0.803 . . . . 15.0 110.05 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.459 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -159.77 155.86 26.61 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.208 -0.451 . . . . 15.0 110.191 179.364 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -77.81 135.26 37.93 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.307 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.81 149.45 21.83 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.22 -16.56 45.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.238 -0.437 . . . . 15.0 111.235 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.412 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -64.35 126.93 91.5 Favored Pre-proline 0 C--N 1.332 -0.161 0 CA-C-N 116.024 -0.535 . . . . 15.0 110.694 -179.559 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 35.1 Cg_exo -59.77 -11.64 15.42 Favored 'Trans proline' 0 CA--C 1.535 0.561 0 C-N-CA 123.191 2.594 . . . . 15.0 114.921 -178.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -102.25 -5.07 24.73 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.138 0.421 . . . . 15.0 112.138 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -133.09 132.49 41.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.137 0.494 . . . . 15.0 111.33 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.4 HH12 ' HD3' ' A' ' 76' ' ' ARG . 0.9 OUTLIER -84.19 -58.81 2.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.214 0.53 . . . . 15.0 110.083 179.752 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 24.1 p-90 -148.67 145.11 27.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.741 -0.663 . . . . 15.0 109.768 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -128.07 148.46 50.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.316 -0.402 . . . . 15.0 110.247 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -79.12 159.49 27.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.05 -0.523 . . . . 15.0 110.744 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.1 t -121.67 133.42 54.96 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.217 -0.66 . . . . 15.0 109.217 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -96.0 113.86 25.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.825 0.345 . . . . 15.0 110.526 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.0 mt -119.85 129.75 25.19 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.907 -0.588 . . . . 15.0 109.736 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -49.43 123.39 10.23 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.113 2.542 . . . . 15.0 112.809 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -104.98 167.35 9.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.822 -0.626 . . . . 15.0 110.624 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 10.4 m -82.71 157.72 23.19 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.733 -0.469 . . . . 15.0 109.733 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.5 -41.96 68.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.873 0.368 . . . . 15.0 110.361 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.423 -0.799 . . . . 15.0 110.411 179.65 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.828 -0.509 . . . . 15.0 111.828 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.0 t -144.46 -150.66 0.33 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.481 -0.563 . . . . 15.0 109.481 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 4.2 p -74.03 76.92 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 122.414 1.102 . . . . 15.0 110.109 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.28 -8.28 48.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.153 -0.93 . . . . 15.0 111.2 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -60.5 -38.59 84.82 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.164 0.507 . . . . 15.0 110.257 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -85.5 73.5 10.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.688 -0.687 . . . . 15.0 109.269 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.61 -65.72 0.96 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.075 -0.511 . . . . 15.0 111.838 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.61 -49.43 77.53 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.605 0.594 . . . . 15.0 112.605 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -61.68 -45.94 91.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.505 -0.316 . . . . 15.0 111.624 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.37 90.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.577 -0.283 . . . . 15.0 110.98 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -62.0 -53.53 54.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.042 -0.527 . . . . 15.0 110.523 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.66 -43.09 99.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.09 -0.505 . . . . 15.0 111.067 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -63.17 -46.31 87.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 15.0 111.078 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -66.23 -44.51 83.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.502 -0.317 . . . . 15.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 16.9 tp -55.85 -51.22 68.27 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.74 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -65.44 -41.34 93.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.898 -0.592 . . . . 15.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -61.77 -45.66 92.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.453 -0.339 . . . . 15.0 110.812 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -58.89 -38.05 77.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.969 0.414 . . . . 15.0 111.481 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.84 -41.04 53.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.987 0.422 . . . . 15.0 110.577 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.33 -24.95 63.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.913 -0.585 . . . . 15.0 111.843 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -56.46 -17.49 8.36 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.111 0.411 . . . . 15.0 112.111 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -60.84 -65.76 0.64 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 120.711 0.291 . . . . 15.0 110.418 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -145.1 -18.53 0.5 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.708 0.289 . . . . 15.0 111.776 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -84.0 11.95 7.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.699 -0.228 . . . . 15.0 111.116 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 23.9 tp -59.84 -32.8 71.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.877 0.37 . . . . 15.0 111.126 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -65.37 -40.05 93.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 15.0 110.462 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 -82.15 -28.55 32.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.268 -0.424 . . . . 15.0 110.445 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -58.87 -50.38 74.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.911 -0.586 . . . . 15.0 110.718 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' B' ' 130' ' ' SER . 1.0 OUTLIER -62.31 -33.8 75.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 15.0 110.974 -179.057 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' SER . . . . . 0.43 ' N ' ' HG2' ' B' ' 129' ' ' LYS . 52.2 m -77.22 -34.57 56.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.931 0.396 . . . . 15.0 110.592 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -46.87 82.26 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.288 -0.634 . . . . 15.0 109.288 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -64.02 -32.81 74.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.426 -0.806 . . . . 15.0 110.364 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.55 -43.3 93.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.062 -0.517 . . . . 15.0 110.702 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 134' ' ' ASP . . . . . 0.523 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 30.3 t70 -82.29 -27.06 32.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.097 0.475 . . . . 15.0 111.294 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -74.66 -41.99 59.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.091 -0.504 . . . . 15.0 111.311 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.41 -36.08 82.98 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.145 0.424 . . . . 15.0 112.145 -178.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 137' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 7.3 ptpt -65.53 -28.08 68.92 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.109 0.481 . . . . 15.0 110.502 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -85.75 -38.79 17.87 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 108.942 -0.762 . . . . 15.0 108.942 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -33.28 66.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.622 -1.172 . . . . 15.0 110.801 179.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.17 -50.41 67.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 15.0 111.411 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.07 -40.86 67.98 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.331 -0.395 . . . . 15.0 110.648 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -59.52 -46.41 88.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.963 0.411 . . . . 15.0 110.368 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -66.05 -30.52 71.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.013 -0.54 . . . . 15.0 111.014 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' B' ' 148' ' ' LYS . . . -58.33 -38.92 78.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.57 -0.287 . . . . 15.0 111.043 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -90.86 -43.68 9.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.888 0.375 . . . . 15.0 111.161 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -61.21 -55.07 36.38 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.47 0.544 . . . . 15.0 112.47 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.1 -22.0 65.83 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.97 0.414 . . . . 15.0 111.572 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' B' ' 144' ' ' ALA . 76.7 tttt -79.7 -36.73 37.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.219 -0.446 . . . . 15.0 110.961 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 50.1 tp -81.32 -49.2 11.0 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.221 -0.445 . . . . 15.0 110.749 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -85.77 113.9 22.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.129 -0.487 . . . . 15.0 110.023 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -90.17 -9.8 46.84 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.155 -0.475 . . . . 15.0 110.525 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.815 -0.612 . . . . 15.0 109.94 179.246 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 m . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 109.833 -0.432 . . . . 15.0 109.833 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -137.11 122.37 19.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.406 -0.361 . . . . 15.0 110.441 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -160.43 157.96 28.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.322 -0.399 . . . . 15.0 110.83 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.3 m -134.99 154.33 51.77 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.102 -0.499 . . . . 15.0 109.794 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 19.6 mmt -114.56 163.11 15.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.654 0.264 . . . . 15.0 110.71 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -85.18 96.96 9.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.099 -0.501 . . . . 15.0 111.58 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.64 -108.74 0.5 Allowed Glycine 0 C--N 1.331 0.286 0 CA-C-N 115.401 -0.818 . . . . 15.0 114.293 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.7 t -72.3 -45.12 61.38 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 122.459 0.304 . . . . 15.0 111.215 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.6 50.17 4.09 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.326 -0.94 . . . . 15.0 111.744 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -66.03 -36.8 84.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.356 0.598 . . . . 15.0 110.052 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -95.82 28.09 3.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.332 -0.849 . . . . 15.0 111.241 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -70.59 108.05 4.17 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.997 0.427 . . . . 15.0 110.197 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -107.66 31.97 5.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.498 0.666 . . . . 15.0 109.297 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.13 160.9 46.74 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.454 -0.794 . . . . 15.0 112.351 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -92.67 111.06 22.52 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.889 0.375 . . . . 15.0 110.467 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.1 tt -162.05 132.71 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.043 -0.526 . . . . 15.0 109.844 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.96 22.74 4.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.249 -0.432 . . . . 15.0 110.991 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -132.05 135.04 46.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.331 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.403 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 21.8 p -76.95 -175.33 3.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.3 -0.409 . . . . 15.0 111.13 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -62.13 -29.14 70.13 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.724 0.297 . . . . 15.0 111.26 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.36 1.87 53.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.821 0.343 . . . . 15.0 111.014 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.01 15.14 81.53 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.834 -0.698 . . . . 15.0 112.911 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 42.3 mt -78.17 149.79 33.68 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.019 -0.363 . . . . 15.0 110.019 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -74.82 130.9 40.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.159 0.504 . . . . 15.0 111.451 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.69 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 17.3 t -82.92 140.36 32.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.681 -0.691 . . . . 15.0 111.024 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -85.6 145.17 27.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.639 -0.71 . . . . 15.0 109.281 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.54 137.67 52.64 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.097 -0.334 . . . . 15.0 110.097 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -63.27 -23.02 67.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.049 0.452 . . . . 15.0 110.663 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -102.02 6.96 41.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.065 -0.516 . . . . 15.0 111.472 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.8 t -86.19 138.93 31.51 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.9 -0.407 . . . . 15.0 109.9 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -94.0 36.89 1.1 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.023 0.439 . . . . 15.0 111.785 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.1 140.24 95.71 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 105.387 -2.079 . . . . 15.0 105.387 176.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -73.9 99.16 1.13 Allowed 'Trans proline' 0 N--CA 1.452 -0.946 0 CA-C-N 120.732 1.297 . . . . 15.0 113.511 -176.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.35 164.24 18.31 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 113.304 -1.771 . . . . 15.0 108.144 175.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.27 110.93 23.02 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.883 -1.154 . . . . 15.0 107.883 176.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -172.32 -176.29 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.724 0.297 . . . . 15.0 111.118 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -147.6 31.02 1.39 Allowed Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.467 -0.653 . . . . 15.0 111.467 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -94.31 114.52 26.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.937 0.398 . . . . 15.0 110.849 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.416 ' HB ' ' HD3' ' A' ' 46' ' ' LYS . 49.5 mm -116.19 131.76 23.62 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.06 -0.718 . . . . 15.0 109.06 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -52.09 -37.55 68.99 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.735 2.29 . . . . 15.0 112.832 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.4 ' H ' HG21 ' A' ' 43' ' ' ILE . 23.5 m -72.51 -14.48 61.66 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.349 -0.387 . . . . 15.0 111.458 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.416 ' HD3' ' HB ' ' A' ' 43' ' ' ILE . 50.5 mtpt -86.21 -23.15 26.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 15.0 110.683 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -132.16 61.54 58.27 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 116.241 -0.436 . . . . 15.0 111.13 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.32 -13.59 20.72 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.129 1.886 . . . . 15.0 111.665 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -82.08 -11.16 58.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.494 -0.775 . . . . 15.0 111.023 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -108.3 9.23 27.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.231 0.539 . . . . 15.0 110.351 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.8 t30 50.9 59.53 4.54 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 114.946 -1.025 . . . . 15.0 112.532 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.6 mp -81.34 111.01 17.32 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.148 -0.686 . . . . 15.0 109.148 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -141.55 133.78 27.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.841 0.353 . . . . 15.0 111.465 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 51.99 -134.19 1.68 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.293 -0.867 . . . . 15.0 111.827 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -115.32 40.92 2.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.426 0.631 . . . . 15.0 110.873 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -91.85 136.93 32.78 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.835 -0.621 . . . . 15.0 110.353 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.429 ' SG ' ' HB2' ' A' ' 66' ' ' PRO . 45.0 t -63.15 132.42 51.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.921 -0.581 . . . . 15.0 111.048 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -139.72 163.97 31.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.509 -0.769 . . . . 15.0 109.93 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -124.68 82.55 59.63 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 108.441 -0.948 . . . . 15.0 108.441 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.47 -10.75 14.59 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.48 2.12 . . . . 15.0 113.883 -177.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.477 ' OD2' ' HB3' ' B' ' 129' ' ' LYS . 8.0 t70 -110.18 0.97 18.44 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.087 -0.645 . . . . 15.0 112.365 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 56.57 37.51 28.88 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.147 -0.479 . . . . 15.0 111.109 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -80.9 -170.09 2.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.301 -0.409 . . . . 15.0 111.014 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 89.0 mt -50.61 -42.44 56.01 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.537 0.94 . . . . 15.0 113.537 -178.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.44 ' HD3' ' O ' ' A' ' 80' ' ' CYS . 12.0 ptp180 -157.89 148.92 16.41 Favored Pre-proline 0 C--N 1.33 -0.244 0 C-N-CA 120.629 -0.428 . . . . 15.0 111.885 -178.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.429 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 13.9 Cg_endo -57.77 146.06 87.39 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.819 2.346 . . . . 15.0 112.574 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 21.7 p-90 -146.04 -176.04 4.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.472 -0.786 . . . . 15.0 109.618 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.69 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 1.1 p -166.93 155.02 9.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.509 -0.314 . . . . 15.0 110.657 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -73.26 143.63 46.98 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.803 -0.443 . . . . 15.0 109.803 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.93 176.87 6.09 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.489 -0.323 . . . . 15.0 111.598 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.24 5.17 19.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.595 0.712 . . . . 15.0 109.735 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.71 130.25 53.81 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 114.844 -1.071 . . . . 15.0 110.341 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -65.22 -13.43 39.72 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.432 2.088 . . . . 15.0 112.734 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -108.37 1.55 21.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.407 -0.361 . . . . 15.0 111.681 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -132.31 114.9 14.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.683 0.278 . . . . 15.0 110.751 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -68.67 -63.73 1.0 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.331 0.586 . . . . 15.0 110.098 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 45.1 p-90 -156.24 146.15 21.19 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.641 -0.709 . . . . 15.0 109.443 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -127.1 159.88 32.86 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.866 0.365 . . . . 15.0 110.641 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -82.67 162.33 21.86 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.723 -0.671 . . . . 15.0 110.656 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.44 ' O ' ' HD3' ' A' ' 65' ' ' ARG . 79.5 m -117.79 149.38 40.89 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.824 -0.806 . . . . 15.0 108.824 178.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -110.89 110.5 21.12 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.986 0.422 . . . . 15.0 111.488 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.2 mt -127.11 130.74 23.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.096 -0.502 . . . . 15.0 109.97 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.14 126.04 19.16 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 122.857 2.372 . . . . 15.0 113.001 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.06 161.61 14.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.095 -0.502 . . . . 15.0 110.017 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 59.7 m -66.13 158.43 28.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.613 -0.267 . . . . 15.0 110.582 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.11 86.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.448 -0.342 . . . . 15.0 111.24 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.595 -0.717 . . . . 15.0 110.642 179.659 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 111.744 -0.543 . . . . 15.0 111.744 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 22.4 m -85.44 -176.25 6.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.609 0.242 . . . . 15.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 3.3 p -67.26 102.46 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-O 121.743 0.783 . . . . 15.0 111.274 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -121.19 23.64 10.43 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.503 -0.772 . . . . 15.0 109.814 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -59.25 -55.8 30.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.375 -0.83 . . . . 15.0 110.446 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -100.76 64.7 1.1 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.801 -0.636 . . . . 15.0 109.355 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -37.91 89.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.461 -0.79 . . . . 15.0 111.714 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.69 -39.12 93.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.108 0.48 . . . . 15.0 110.765 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.62 -36.74 84.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.724 -0.671 . . . . 15.0 110.606 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.42 -42.02 59.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.752 -0.658 . . . . 15.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.56 -51.03 71.6 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.017 -0.538 . . . . 15.0 111.059 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 86.4 mt -55.09 -49.15 72.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 15.0 111.363 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -68.53 -34.59 76.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.148 -0.478 . . . . 15.0 111.816 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -64.61 -49.84 69.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.692 0.282 . . . . 15.0 110.273 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 21.1 tp -62.48 -44.47 96.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 15.0 110.502 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -60.44 -46.29 90.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.776 -0.647 . . . . 15.0 110.707 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -63.34 -43.58 97.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.438 -0.801 . . . . 15.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -56.48 -48.15 77.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.229 -0.441 . . . . 15.0 111.345 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.58 -36.48 82.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.028 -0.533 . . . . 15.0 111.346 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.65 -30.68 63.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.226 -0.443 . . . . 15.0 111.98 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -54.26 -20.34 6.88 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.801 0.667 . . . . 15.0 112.801 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -69.69 -42.19 74.42 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.173 -0.211 . . . . 15.0 111.28 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . 0.445 ' C ' ' H ' ' B' ' 125' ' ' LEU . . . -156.79 -43.54 0.07 Allowed 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.055 0.391 . . . . 15.0 112.055 -178.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -72.97 20.46 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.374 0.509 . . . . 15.0 112.374 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.445 ' H ' ' C ' ' B' ' 123' ' ' ALA . 30.5 tp -65.65 -31.96 73.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.851 0.358 . . . . 15.0 110.803 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -68.56 -44.34 74.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.238 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 55.2 ttp85 -71.4 -34.78 70.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.265 -0.425 . . . . 15.0 110.292 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.38 -40.32 82.03 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.45 0.643 . . . . 15.0 109.434 178.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.477 ' HB3' ' OD2' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -60.49 -48.6 81.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.192 -0.913 . . . . 15.0 110.456 179.236 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m -67.74 -34.04 76.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.791 -0.64 . . . . 15.0 111.224 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.63 -44.66 81.41 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.791 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -37.67 73.46 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 110.007 -0.368 . . . . 15.0 110.007 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -55.42 -45.97 76.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.571 -0.74 . . . . 15.0 110.891 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -85.13 -27.07 26.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.043 -0.526 . . . . 15.0 111.977 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -77.14 -43.79 32.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.519 -0.309 . . . . 15.0 111.756 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -40.65 97.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.501 -0.318 . . . . 15.0 111.303 -178.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -64.79 -24.26 67.5 Favored 'General case' 0 C--O 1.227 -0.124 0 CA-C-O 120.949 0.404 . . . . 15.0 110.233 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -83.56 -35.18 24.94 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.121 -0.696 . . . . 15.0 109.121 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -66.66 -28.94 68.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.097 -0.956 . . . . 15.0 110.989 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -52.11 -43.57 64.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.144 -0.48 . . . . 15.0 111.819 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.07 -43.76 33.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 15.0 111.204 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 52.2 ttp85 -62.91 -46.81 86.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.428 -0.351 . . . . 15.0 111.498 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -62.77 -31.19 72.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.584 -0.28 . . . . 15.0 111.681 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -56.74 -43.9 81.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.415 -0.357 . . . . 15.0 111.641 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -89.72 -34.21 16.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.779 0.323 . . . . 15.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.06 -52.09 66.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.01 -0.541 . . . . 15.0 111.581 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -69.92 -24.54 63.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.3 -0.409 . . . . 15.0 111.183 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -73.29 -40.31 64.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.149 -0.478 . . . . 15.0 110.624 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 20.8 tp -78.34 -56.18 4.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.355 -0.384 . . . . 15.0 110.771 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -74.58 116.35 15.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.13 -0.322 . . . . 15.0 110.13 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -96.82 -12.01 24.15 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.033 -0.267 . . . . 15.0 111.086 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.706 -0.664 . . . . 15.0 110.026 179.553 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 120.719 0.295 . . . . 15.0 110.322 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.8 m -121.55 169.6 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.739 -0.467 . . . . 15.0 109.739 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -91.12 -38.74 12.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.879 0.371 . . . . 15.0 110.966 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -103.77 94.95 5.71 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.96 -0.296 . . . . 15.0 110.355 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.24 147.46 22.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.257 -0.429 . . . . 15.0 110.453 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -133.59 101.53 5.16 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.368 -0.378 . . . . 15.0 110.971 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -153.34 173.35 15.72 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.905 -0.405 . . . . 15.0 109.905 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.2 m -144.31 155.76 43.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.365 -0.379 . . . . 15.0 110.547 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 19.8 mmt -114.78 161.7 17.84 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.837 0.351 . . . . 15.0 111.083 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -88.14 97.8 11.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.881 -0.599 . . . . 15.0 111.376 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.32 -116.89 3.87 Favored Glycine 0 C--N 1.331 0.299 0 CA-C-N 115.58 -0.736 . . . . 15.0 113.871 178.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.516 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -66.4 -40.56 89.71 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.998 0.428 . . . . 15.0 111.011 -179.515 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.53 53.57 4.31 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.685 -0.769 . . . . 15.0 112.594 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -76.87 -18.59 58.24 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.312 -0.625 . . . . 15.0 109.312 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -101.02 22.23 12.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.123 -0.944 . . . . 15.0 109.994 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -70.75 118.82 14.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.81 -0.632 . . . . 15.0 111.088 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -117.89 10.62 13.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.939 -0.573 . . . . 15.0 109.789 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.53 149.83 42.61 Favored Glycine 0 C--O 1.237 0.309 0 CA-C-N 115.686 -0.688 . . . . 15.0 113.034 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -90.45 113.3 25.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.265 0.555 . . . . 15.0 111.556 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.2 tt -163.9 131.63 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.407 -0.815 . . . . 15.0 109.311 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.4 p -122.87 31.29 6.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.909 0.385 . . . . 15.0 111.247 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -133.6 147.16 51.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.263 -0.426 . . . . 15.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.41 HG23 ' HG ' ' A' ' 68' ' ' CYS . 44.6 p -83.65 -177.94 6.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.994 -0.548 . . . . 15.0 110.502 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -73.84 -13.61 60.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.245 0.545 . . . . 15.0 109.899 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.71 3.88 47.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.588 -0.733 . . . . 15.0 110.637 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.8 23.92 71.09 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.662 -0.699 . . . . 15.0 112.775 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.8 mt -90.02 150.39 22.13 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.133 -0.321 . . . . 15.0 110.133 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -76.48 134.18 39.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.585 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.681 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 33.0 t -86.7 142.16 28.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.22 0.533 . . . . 15.0 111.243 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -86.76 146.43 26.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.505 -0.771 . . . . 15.0 109.657 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.87 139.31 55.16 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.004 -0.369 . . . . 15.0 110.004 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -65.19 -29.68 70.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.418 -0.356 . . . . 15.0 111.395 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -99.71 13.88 32.09 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.549 -0.296 . . . . 15.0 111.383 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.0 178.78 8.21 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.901 -0.407 . . . . 15.0 109.901 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -141.9 38.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.451 -0.5 . . . . 15.0 112.199 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.55 158.81 81.28 Favored Pre-proline 0 C--O 1.236 0.374 0 N-CA-C 105.485 -2.043 . . . . 15.0 105.485 175.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -72.96 96.39 0.86 Allowed 'Trans proline' 0 N--CA 1.455 -0.774 0 CA-C-N 122.026 1.759 . . . . 15.0 112.255 -177.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.28 162.44 24.71 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 113.676 -1.602 . . . . 15.0 110.185 177.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.69 112.16 25.02 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.182 -1.414 . . . . 15.0 107.182 174.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 -170.11 165.69 9.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.187 0.518 . . . . 15.0 111.91 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -137.29 21.6 3.27 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 110.867 -0.893 . . . . 15.0 110.867 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -88.53 78.31 7.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.467 -0.367 . . . . 15.0 110.957 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.9 mm -84.46 127.96 63.66 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.827 -0.435 . . . . 15.0 109.827 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.17 -33.03 52.51 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.963 2.442 . . . . 15.0 113.146 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.03 -20.09 64.96 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.416 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -83.36 -23.02 32.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 15.0 110.568 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -133.22 63.86 67.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 15.0 110.81 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.79 -14.97 26.93 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 121.861 1.707 . . . . 15.0 111.363 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -75.38 -21.91 57.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.313 -0.858 . . . . 15.0 111.233 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -96.65 6.17 49.24 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.947 -0.301 . . . . 15.0 111.535 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.6 t30 51.56 61.92 2.98 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.842 0.682 . . . . 15.0 112.842 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.6 mp -84.79 109.82 18.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.521 -0.918 . . . . 15.0 108.521 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -141.33 146.67 36.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.56 0.219 . . . . 15.0 110.947 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt 53.54 -134.74 1.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.951 0.782 . . . . 15.0 111.371 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -124.87 39.55 3.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.363 0.602 . . . . 15.0 110.333 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -91.68 141.73 28.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.014 -0.539 . . . . 15.0 110.382 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.5 t -59.52 131.02 49.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 15.0 111.085 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -138.75 168.22 20.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.896 -0.593 . . . . 15.0 109.794 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -138.69 88.35 14.14 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-O 120.895 0.379 . . . . 15.0 110.378 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -85.05 -5.52 9.58 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.497 2.131 . . . . 15.0 112.792 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.429 ' HA ' ' HD3' ' B' ' 129' ' ' LYS . 33.3 t70 -96.98 -24.13 15.96 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.157 -0.217 . . . . 15.0 111.397 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.4 mtm180 70.57 34.25 2.19 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.411 0.624 . . . . 15.0 109.93 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -80.91 -167.99 1.62 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.197 -0.91 . . . . 15.0 110.893 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.1 mt -47.68 -48.46 29.13 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.215 0.821 . . . . 15.0 113.215 -178.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -158.89 153.55 20.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 C-N-CA 120.687 -0.405 . . . . 15.0 111.29 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.516 ' HD3' ' O ' ' A' ' 12' ' ' SER . 51.9 Cg_exo -54.45 146.22 53.37 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.074 2.516 . . . . 15.0 113.563 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 -138.39 177.81 7.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.106 -0.952 . . . . 15.0 109.402 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.681 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 4.7 p -163.25 154.91 17.45 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.477 -0.329 . . . . 15.0 110.771 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -78.71 145.54 34.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.211 -0.45 . . . . 15.0 109.952 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 p -100.42 154.68 18.32 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.878 0.37 . . . . 15.0 111.621 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.49 8.15 29.46 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.196 0.522 . . . . 15.0 110.792 178.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -103.94 122.95 42.66 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.035 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -60.46 -16.64 43.16 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.987 2.458 . . . . 15.0 113.603 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.38 -17.89 59.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.564 0.221 . . . . 15.0 110.752 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -130.5 152.82 49.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.878 0.371 . . . . 15.0 110.899 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -99.02 -63.36 1.13 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.228 0.537 . . . . 15.0 110.042 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 32.4 p-90 -147.39 144.09 28.44 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.57 -0.741 . . . . 15.0 109.169 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -130.8 155.02 47.39 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.772 0.32 . . . . 15.0 110.363 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -82.95 161.88 21.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.828 -0.624 . . . . 15.0 110.946 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 5.9 t -117.32 139.46 50.81 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.955 -0.758 . . . . 15.0 108.955 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -100.91 110.94 23.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.245 -0.434 . . . . 15.0 111.125 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.98 135.32 26.62 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.883 -0.598 . . . . 15.0 110.017 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -58.88 123.4 13.43 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.648 2.232 . . . . 15.0 112.145 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.83 156.05 18.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.414 -0.357 . . . . 15.0 110.61 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 66.7 m -67.62 151.07 47.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.216 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.54 -49.13 70.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.133 0.492 . . . . 15.0 109.803 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.693 -0.67 . . . . 15.0 109.724 179.196 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.849 0 N-CA-C 112.007 -0.437 . . . . 15.0 112.007 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 2.9 t -136.58 -167.58 2.09 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.698 -0.482 . . . . 15.0 109.698 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 3.8 p -82.72 91.35 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.928 0.871 . . . . 15.0 109.887 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.33 22.32 14.35 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.558 -0.746 . . . . 15.0 110.594 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -63.35 -40.15 96.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.794 -0.639 . . . . 15.0 111.261 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -102.54 49.64 0.84 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.078 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -46.07 85.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.698 -0.683 . . . . 15.0 112.378 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.64 -45.76 74.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 15.0 111.42 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.7 -48.41 80.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.935 -0.575 . . . . 15.0 111.029 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.38 98.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.932 -0.576 . . . . 15.0 111.18 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -61.23 -45.73 93.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.472 -0.331 . . . . 15.0 110.975 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 44.6 mt -60.13 -47.88 84.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.616 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -65.58 -38.7 90.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.941 -0.572 . . . . 15.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -65.32 -47.9 74.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.46 -0.336 . . . . 15.0 110.955 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 43.8 tp -57.91 -39.59 78.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 15.0 110.191 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -68.75 -43.99 74.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.811 -0.631 . . . . 15.0 110.178 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' ASN . . . . . 0.463 ' O ' ' HB2' ' B' ' 121' ' ' GLU . 1.8 t30 -62.18 -43.53 98.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.851 -0.613 . . . . 15.0 110.741 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.48 -42.96 98.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.985 0.421 . . . . 15.0 111.204 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.2 -44.12 76.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.386 -0.37 . . . . 15.0 111.18 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.37 -19.75 57.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.197 -0.456 . . . . 15.0 112.206 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' B' ' 117' ' ' ASN . 19.6 tt0 -57.43 -20.93 33.35 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.244 0.461 . . . . 15.0 112.244 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -58.42 -67.54 0.34 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.164 -0.471 . . . . 15.0 111.423 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -136.53 -26.86 1.08 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.99 0.424 . . . . 15.0 111.395 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -81.6 22.94 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.129 -0.487 . . . . 15.0 111.451 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 25.6 tp -64.51 -31.83 73.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.986 0.422 . . . . 15.0 110.425 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.416 ' CD ' ' HZ3' ' B' ' 129' ' ' LYS . 67.2 mm-40 -66.12 -41.4 90.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.902 -0.59 . . . . 15.0 109.61 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 37.2 ttp85 -72.12 -41.23 67.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.645 -0.707 . . . . 15.0 110.231 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -57.61 -48.86 78.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.601 -0.727 . . . . 15.0 111.099 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.429 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -61.65 -32.28 72.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.963 -0.562 . . . . 15.0 111.051 -178.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 29.4 m -79.91 -41.04 26.92 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.853 0.359 . . . . 15.0 110.866 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -61.52 -49.31 77.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 15.0 110.477 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 5.0 tmt_? -57.48 -36.32 71.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.462 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -61.29 -41.37 96.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.949 -0.569 . . . . 15.0 111.195 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . 0.543 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 18.4 t70 -83.81 -23.28 31.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.831 0.348 . . . . 15.0 111.558 -179.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -82.94 -36.61 25.07 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 111.974 0.361 . . . . 15.0 111.974 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.76 -29.59 70.11 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.75 0.278 . . . . 15.0 111.75 -178.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 12.7 ptpt -69.37 -25.15 64.03 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.359 -0.608 . . . . 15.0 109.359 178.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -83.96 -28.04 28.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.285 -0.87 . . . . 15.0 108.725 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -61.97 -33.81 74.99 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.4 -0.818 . . . . 15.0 110.299 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.04 -26.43 68.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 15.0 110.439 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -83.05 -41.39 18.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.876 -0.602 . . . . 15.0 110.215 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' B' ' 146' ' ' GLU . 40.7 ttp85 -75.31 -55.07 6.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.765 -0.652 . . . . 15.0 111.582 -179.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -61.0 -21.39 63.52 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.129 0.418 . . . . 15.0 112.129 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -57.47 -51.95 67.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.932 0.396 . . . . 15.0 110.418 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -90.02 -32.57 16.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.127 -0.488 . . . . 15.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 146' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' B' ' 142' ' ' ARG . 7.5 tt0 -61.03 -55.13 36.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.002 -0.544 . . . . 15.0 111.903 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.73 -27.47 67.64 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.813 0.34 . . . . 15.0 111.188 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -73.89 -41.1 62.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.922 -0.581 . . . . 15.0 110.576 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 15.9 tp -75.4 -45.69 37.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.136 -0.483 . . . . 15.0 110.728 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -76.32 107.66 8.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.973 -0.558 . . . . 15.0 111.096 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -76.1 -36.27 58.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.895 0.378 . . . . 15.0 110.171 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.892 -0.575 . . . . 15.0 109.812 179.639 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 109.857 -0.423 . . . . 15.0 109.857 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.0 m -129.32 157.27 42.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.104 -0.702 . . . . 15.0 109.104 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -76.79 -15.72 59.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.656 0.265 . . . . 15.0 111.172 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -68.06 106.84 2.5 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.755 -0.461 . . . . 15.0 109.755 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -123.83 118.78 27.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.138 -0.483 . . . . 15.0 111.143 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -127.91 106.52 9.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.204 -0.453 . . . . 15.0 109.998 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -150.7 161.09 43.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.825 0.345 . . . . 15.0 111.053 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.3 m -147.24 138.24 23.74 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.391 -0.596 . . . . 15.0 109.391 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 17.1 mmt -113.8 165.27 12.73 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 122.331 -0.23 . . . . 15.0 110.838 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -85.74 97.45 10.16 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.498 0.555 . . . . 15.0 112.498 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.05 -113.4 1.63 Allowed Glycine 0 C--O 1.23 -0.137 0 CA-C-N 115.036 -0.984 . . . . 15.0 114.985 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.613 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 23.7 m -76.44 -9.44 58.65 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.784 0.661 . . . . 15.0 112.784 -177.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.23 56.43 14.81 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 121.053 -0.594 . . . . 15.0 112.326 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -65.13 -24.72 67.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.192 0.52 . . . . 15.0 110.357 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.39 27.37 9.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.535 -0.757 . . . . 15.0 110.085 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -75.65 113.46 13.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.55 -0.75 . . . . 15.0 110.401 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -112.47 32.53 5.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.13 -0.487 . . . . 15.0 110.65 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.12 146.51 41.31 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.765 -0.731 . . . . 15.0 111.634 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -85.49 105.72 16.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.218 0.532 . . . . 15.0 111.002 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.0 tt -156.2 130.8 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.462 -0.79 . . . . 15.0 109.321 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.6 37.25 4.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.914 0.388 . . . . 15.0 111.46 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -140.54 153.93 46.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.264 -0.426 . . . . 15.0 111.215 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.7 p -95.83 -177.43 4.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.966 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -68.48 -22.72 64.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.883 0.373 . . . . 15.0 110.792 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.02 3.55 51.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.225 -0.443 . . . . 15.0 110.985 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.63 25.42 72.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.871 -0.68 . . . . 15.0 112.754 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.61 158.02 16.19 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.313 -0.254 . . . . 15.0 110.313 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -81.33 131.64 35.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.065 0.46 . . . . 15.0 111.622 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.509 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 13.7 t -82.5 142.24 32.02 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.527 -0.761 . . . . 15.0 110.874 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -94.11 148.8 21.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.869 -0.605 . . . . 15.0 109.998 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.545 ' HB2' ' OG ' ' A' ' 34' ' ' SER . . . -67.34 144.22 55.96 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 110.33 -0.248 . . . . 15.0 110.33 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 60.7 m95 -67.54 -26.41 66.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.21 -0.45 . . . . 15.0 111.409 -178.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -103.21 11.83 36.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.673 -0.239 . . . . 15.0 111.444 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.545 ' OG ' ' HB2' ' A' ' 31' ' ' ALA . 3.0 m -67.59 153.9 42.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 15.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -104.53 19.67 19.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.41 -0.359 . . . . 15.0 111.45 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.36 143.95 97.67 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 106.507 -1.664 . . . . 15.0 106.507 176.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.81 100.7 1.22 Allowed 'Trans proline' 0 N--CA 1.457 -0.638 0 CA-C-N 120.101 1.072 . . . . 15.0 112.812 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.408 ' NE2' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -121.25 162.63 19.9 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 113.928 -1.487 . . . . 15.0 109.209 176.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.69 110.47 22.81 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 107.312 -1.366 . . . . 15.0 107.312 175.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -172.08 174.38 4.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.193 0.521 . . . . 15.0 111.414 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.01 21.29 3.17 Favored Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.41 -0.814 . . . . 15.0 111.114 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -86.61 111.47 20.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.519 -0.341 . . . . 15.0 110.816 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.1 mm -119.38 130.26 24.94 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.375 -0.602 . . . . 15.0 109.375 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -51.9 -35.07 58.6 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.847 2.364 . . . . 15.0 113.048 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.11 -18.88 65.51 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.871 0.367 . . . . 15.0 111.74 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -86.91 -26.08 24.09 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.001 0.429 . . . . 15.0 111.084 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -124.54 68.7 51.92 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.153 -0.476 . . . . 15.0 110.987 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.86 -32.72 8.73 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.22 1.946 . . . . 15.0 112.329 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -75.09 -10.46 59.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.264 -0.425 . . . . 15.0 111.389 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -92.7 -4.13 53.7 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.71 -0.478 . . . . 15.0 109.71 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 39.6 t30 55.16 56.74 6.17 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 114.992 -1.004 . . . . 15.0 111.232 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mp -84.17 109.85 18.06 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.489 -0.56 . . . . 15.0 109.489 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -144.0 150.63 38.56 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.333 -0.394 . . . . 15.0 110.646 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt 53.59 -129.12 2.32 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.798 -0.637 . . . . 15.0 111.203 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -130.12 26.3 5.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.926 0.393 . . . . 15.0 110.56 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -75.47 136.78 40.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.231 -0.441 . . . . 15.0 110.767 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 50.8 t -71.47 146.31 48.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.198 -0.456 . . . . 15.0 110.269 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.23 179.43 7.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 15.0 109.674 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -119.69 86.82 36.01 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.563 -0.289 . . . . 15.0 110.799 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -92.84 2.32 3.64 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.856 2.371 . . . . 15.0 112.032 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -105.46 -8.44 18.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.689 -0.687 . . . . 15.0 111.547 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 60.64 31.44 20.18 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.157 0.504 . . . . 15.0 109.849 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.32 -171.85 3.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.566 -0.743 . . . . 15.0 111.079 -178.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.3 mp -51.37 -42.27 61.22 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.518 -0.764 . . . . 15.0 112.868 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -163.59 154.43 13.88 Favored Pre-proline 0 C--O 1.224 -0.255 0 C-N-CA 120.983 -0.287 . . . . 15.0 111.106 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.613 ' HD3' ' O ' ' A' ' 12' ' ' SER . 52.4 Cg_exo -52.22 135.34 52.88 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.995 2.463 . . . . 15.0 113.738 -178.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 -130.78 179.22 6.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.2 -0.909 . . . . 15.0 109.426 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.509 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -164.62 158.25 17.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.719 0.295 . . . . 15.0 110.688 179.755 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -79.21 141.75 36.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 15.0 109.944 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.49 142.15 39.31 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.473 -0.331 . . . . 15.0 111.284 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.78 52.84 2.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.978 0.418 . . . . 15.0 112.056 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.48 128.82 21.22 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.463 -0.335 . . . . 15.0 110.263 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_exo -60.08 -21.22 64.61 Favored 'Trans proline' 0 N--CA 1.476 0.472 0 C-N-CA 122.57 2.18 . . . . 15.0 113.388 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -98.04 -0.45 44.57 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.551 -0.295 . . . . 15.0 111.682 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -149.78 104.74 3.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.615 0.245 . . . . 15.0 110.627 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.408 ' HA ' ' NE2' ' A' ' 38' ' ' HIS . 20.7 mtm180 -67.93 -45.21 74.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.217 -0.447 . . . . 15.0 111.231 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 58.5 p-90 -153.42 166.1 33.73 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.876 -0.33 . . . . 15.0 111.018 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -152.21 170.13 20.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.343 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -89.5 162.36 15.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.549 -0.75 . . . . 15.0 110.369 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 11.0 t -117.21 137.35 52.42 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.392 -0.595 . . . . 15.0 109.392 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -90.47 109.76 20.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 15.0 110.68 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.1 mt -124.85 132.61 24.34 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.935 -0.575 . . . . 15.0 110.421 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.35 133.07 44.21 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.702 2.268 . . . . 15.0 112.435 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -101.5 167.72 9.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.107 -0.497 . . . . 15.0 110.788 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.0 m -90.89 164.76 13.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.133 -0.485 . . . . 15.0 110.117 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.08 -36.43 64.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.307 0.575 . . . . 15.0 109.808 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.313 -0.851 . . . . 15.0 110.09 179.483 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.816 0 N-CA-C 111.976 -0.449 . . . . 15.0 111.976 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 4.9 t -155.79 -162.18 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.162 -0.681 . . . . 15.0 109.162 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 6.7 p -69.06 99.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.739 0.78 . . . . 15.0 109.793 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -105.27 -0.6 26.17 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.598 -0.728 . . . . 15.0 111.112 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -68.18 -53.7 23.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.227 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -91.44 57.18 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.724 -0.472 . . . . 15.0 109.724 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.86 -61.18 2.72 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.86 0.689 . . . . 15.0 112.86 -178.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.14 93.55 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.899 0.333 . . . . 15.0 111.899 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.03 -49.83 74.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 15.0 111.291 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.72 -41.6 92.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.42 . . . . 15.0 111.224 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -57.74 -49.14 77.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.012 -0.54 . . . . 15.0 110.924 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.32 -47.21 86.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.287 -0.415 . . . . 15.0 111.143 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -59.95 -44.85 94.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 15.0 111.567 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -69.92 -46.95 64.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.685 -0.234 . . . . 15.0 111.56 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 30.9 tp -57.37 -39.57 76.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.16 0.505 . . . . 15.0 110.377 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -72.28 -42.19 65.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.423 -0.808 . . . . 15.0 110.653 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -61.34 -46.97 88.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.76 -0.655 . . . . 15.0 111.465 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -34.05 73.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.424 . . . . 15.0 111.429 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -79.31 -42.24 26.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.382 -0.372 . . . . 15.0 111.117 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.72 -19.27 62.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 15.0 111.83 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -57.95 -17.94 20.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.45 -0.341 . . . . 15.0 111.809 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -60.89 -75.38 0.07 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.773 0.321 . . . . 15.0 111.131 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -134.92 -3.69 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 15.0 111.409 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -95.6 12.75 28.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.618 -0.265 . . . . 15.0 110.722 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.15 -35.75 75.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.103 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -69.52 -26.67 64.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.909 0.385 . . . . 15.0 110.584 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 60.1 ttp85 -86.27 -31.35 21.7 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.305 -0.628 . . . . 15.0 109.305 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -55.82 -50.39 70.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.184 -0.916 . . . . 15.0 110.253 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -61.78 -46.6 88.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.095 -0.502 . . . . 15.0 111.392 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 3.9 m -62.07 -41.61 98.34 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.812 0.339 . . . . 15.0 111.313 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -65.92 -41.79 90.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 15.0 110.854 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -42.62 79.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.934 -0.575 . . . . 15.0 111.637 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -58.58 -53.73 54.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 15.0 111.643 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.69 -36.97 83.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 15.0 110.814 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -62.64 -49.59 74.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.465 . . . . 15.0 111.338 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -32.04 73.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.046 0.45 . . . . 15.0 110.535 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -63.55 -42.48 98.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.873 -0.603 . . . . 15.0 110.112 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -75.91 -27.91 57.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.011 -0.541 . . . . 15.0 110.088 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.33 -22.38 66.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.754 -0.657 . . . . 15.0 111.522 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.37 -45.94 83.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.755 0.312 . . . . 15.0 110.693 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -69.6 -37.85 77.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.86 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' B' ' 146' ' ' GLU . 10.6 ttp180 -68.24 -57.03 6.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.261 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -62.49 -22.88 66.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.55 . . . . 15.0 112.213 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -58.27 -49.07 78.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.36 . . . . 15.0 110.497 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -92.09 -35.5 13.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 15.0 111.661 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 146' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' B' ' 142' ' ' ARG . 9.8 tt0 -58.34 -57.08 14.47 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.872 0.693 . . . . 15.0 112.872 -177.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -77.01 -10.1 59.14 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.194 0.521 . . . . 15.0 111.163 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 65.1 tttt -82.21 -45.53 14.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.801 -0.636 . . . . 15.0 110.253 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 45.2 tp -83.14 -53.35 5.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.592 -0.731 . . . . 15.0 110.53 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -95.96 90.6 5.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.061 0.457 . . . . 15.0 110.512 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -87.67 -17.29 32.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.211 -0.45 . . . . 15.0 111.269 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.744 -0.646 . . . . 15.0 110.316 179.854 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 121.009 0.433 . . . . 15.0 110.296 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.2 m -113.54 159.17 13.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.292 -0.413 . . . . 15.0 110.762 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -91.25 -17.96 25.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.208 0.528 . . . . 15.0 109.907 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -113.25 69.61 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.778 -0.646 . . . . 15.0 110.034 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.81 137.52 36.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.65 -0.704 . . . . 15.0 110.572 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -136.77 120.85 17.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.951 0.405 . . . . 15.0 110.734 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -161.72 162.27 29.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.715 -0.675 . . . . 15.0 109.811 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.6 m -136.15 132.19 35.68 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.99 0.424 . . . . 15.0 110.294 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.2 mmt -114.67 167.47 10.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.108 -0.496 . . . . 15.0 110.466 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.3 t60 -66.36 151.63 46.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.317 -0.401 . . . . 15.0 110.187 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.49 -60.59 7.63 Favored Glycine 0 CA--C 1.522 0.487 0 O-C-N 123.44 0.463 . . . . 15.0 113.114 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.6 t -68.05 -41.62 81.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.893 0.378 . . . . 15.0 110.76 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 61.44 44.25 98.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.992 -0.623 . . . . 15.0 112.246 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -70.56 -38.56 74.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.96 0.409 . . . . 15.0 111.226 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -95.17 26.59 3.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.177 -0.465 . . . . 15.0 110.977 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -65.12 112.11 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.647 -0.501 . . . . 15.0 109.647 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.433 ' HA ' ' NH2' ' A' ' 58' ' ' ARG . 8.1 t70 -116.79 11.7 14.6 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.171 -0.468 . . . . 15.0 110.923 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.93 147.67 50.29 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.641 -0.709 . . . . 15.0 112.008 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -76.99 115.5 16.84 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.947 0.403 . . . . 15.0 110.666 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 tt -165.46 131.14 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.536 -0.756 . . . . 15.0 109.838 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 p -130.74 39.8 3.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.21 0.529 . . . . 15.0 110.568 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -142.52 154.35 44.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.659 -0.7 . . . . 15.0 110.48 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.7 p -93.16 177.36 6.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.981 -0.554 . . . . 15.0 110.197 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -68.45 -19.23 64.56 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.182 0.515 . . . . 15.0 110.327 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -12.16 54.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.637 -0.711 . . . . 15.0 110.827 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.2 25.58 33.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.657 -0.782 . . . . 15.0 111.819 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.4 mt -97.16 154.5 17.33 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.263 -0.273 . . . . 15.0 110.263 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -74.8 137.78 42.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.052 -0.522 . . . . 15.0 110.939 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.583 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 28.7 t -90.57 141.43 28.77 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.635 -0.712 . . . . 15.0 111.029 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -87.13 144.57 26.8 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.586 -0.734 . . . . 15.0 110.166 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.423 ' HB2' ' HB2' ' A' ' 34' ' ' SER . . . -70.09 140.8 52.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.496 -0.32 . . . . 15.0 110.786 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -67.99 -19.82 64.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.812 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -103.16 3.59 35.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 15.0 111.32 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.423 ' HB2' ' HB2' ' A' ' 31' ' ' ALA . 34.4 t -79.95 147.56 31.56 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.089 -0.337 . . . . 15.0 110.089 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -109.21 36.56 2.87 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 120.72 -0.392 . . . . 15.0 111.873 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.66 142.72 96.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 105.413 -2.069 . . . . 15.0 105.413 175.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -70.9 97.92 0.76 Allowed 'Trans proline' 0 N--CA 1.454 -0.831 0 CA-C-N 121.085 1.423 . . . . 15.0 112.649 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.624 ' NE2' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -123.13 164.63 18.28 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 113.488 -1.687 . . . . 15.0 108.88 176.161 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.27 112.34 24.07 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 106.955 -1.498 . . . . 15.0 106.955 175.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.494 ' HA ' ' NH1' ' B' ' 132' ' ' ARG . 46.5 p-80 -170.92 -177.86 2.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.19 0.519 . . . . 15.0 111.828 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.62 35.76 0.43 Allowed Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.27 -0.877 . . . . 15.0 110.933 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -104.83 108.1 19.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 15.0 110.683 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 8.9 mm -110.88 129.47 23.94 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.968 -0.56 . . . . 15.0 109.577 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -53.62 -27.46 41.74 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.157 2.571 . . . . 15.0 113.608 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.57 -22.22 61.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.045 0.45 . . . . 15.0 111.089 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -95.9 -6.22 39.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.016 -0.538 . . . . 15.0 110.738 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -136.69 56.67 13.82 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.131 -0.486 . . . . 15.0 111.701 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -82.39 -6.41 11.86 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.07 1.846 . . . . 15.0 111.349 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -80.85 -25.47 37.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.909 -1.041 . . . . 15.0 110.707 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.44 ' HG3' ' HA ' ' A' ' 60' ' ' PRO . 48.8 mmtt -102.19 8.89 40.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.008 0.432 . . . . 15.0 110.444 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 51.4 t30 54.51 56.81 6.39 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.095 -0.957 . . . . 15.0 112.028 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.0 mp -79.52 110.53 14.92 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.504 -0.554 . . . . 15.0 109.504 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -143.8 144.09 31.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.575 0.226 . . . . 15.0 110.722 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt 52.47 -133.77 1.76 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.523 -0.762 . . . . 15.0 111.928 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -120.4 31.5 6.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.989 0.424 . . . . 15.0 110.95 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -81.05 144.65 31.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.268 -0.424 . . . . 15.0 110.333 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.9 t -62.71 132.68 53.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.279 -0.419 . . . . 15.0 109.996 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.433 ' NH2' ' HA ' ' A' ' 17' ' ' ASP . 2.4 mmp_? -133.93 169.85 16.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.776 0.322 . . . . 15.0 110.57 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -134.28 82.98 45.67 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-O 121.343 0.592 . . . . 15.0 109.624 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.44 ' HA ' ' HG3' ' A' ' 50' ' ' LYS . 76.2 Cg_endo -85.27 1.97 8.07 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.465 2.11 . . . . 15.0 113.872 -178.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.43 ' HB2' ' HD3' ' B' ' 129' ' ' LYS . 38.1 t70 -109.24 -15.6 14.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.813 0.339 . . . . 15.0 110.825 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.1 mtm105 66.06 29.93 9.78 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.152 -1.055 . . . . 15.0 108.152 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -76.3 -171.62 1.82 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 114.584 -1.189 . . . . 15.0 111.126 -179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.0 mt -51.03 -43.3 60.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.213 -0.903 . . . . 15.0 112.983 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -160.15 148.69 13.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 C-N-CA 120.61 -0.436 . . . . 15.0 111.913 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.52 145.87 21.08 Favored 'Trans proline' 0 C--O 1.238 0.52 0 C-N-CA 123.236 2.624 . . . . 15.0 114.101 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 29.7 p-90 -136.8 173.31 11.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.145 -0.934 . . . . 15.0 109.775 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.583 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 4.9 p -164.88 156.87 15.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.577 -0.283 . . . . 15.0 111.019 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -79.52 147.76 32.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 15.0 109.922 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.31 167.04 10.07 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.888 0.375 . . . . 15.0 111.274 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 p -99.3 18.71 16.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.018 0.437 . . . . 15.0 110.848 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.44 119.64 48.9 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 15.0 109.872 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.5 -21.06 22.71 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.267 2.645 . . . . 15.0 114.686 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -87.29 -11.86 48.31 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.696 0.284 . . . . 15.0 111.604 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.78 109.18 6.91 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.04 -0.355 . . . . 15.0 110.04 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.624 ' HA ' ' NE2' ' A' ' 38' ' ' HIS . 8.8 mtm180 -65.89 -54.03 31.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.616 0.246 . . . . 15.0 110.875 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.4 p-90 -146.98 159.75 43.19 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.895 -0.409 . . . . 15.0 109.895 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -141.22 173.21 11.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.223 0.535 . . . . 15.0 111.345 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -94.49 158.96 15.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.357 -0.838 . . . . 15.0 110.837 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 5.0 t -120.36 138.64 53.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.211 -0.663 . . . . 15.0 109.211 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -95.23 115.97 28.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.807 0.337 . . . . 15.0 110.59 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.9 mt -125.15 132.82 24.4 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.097 -0.501 . . . . 15.0 110.125 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -64.78 122.68 10.59 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.27 1.98 . . . . 15.0 111.177 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -103.28 163.15 12.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.167 -0.47 . . . . 15.0 111.095 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 18.6 m -74.0 149.52 41.24 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.933 -0.576 . . . . 15.0 110.271 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.59 -25.61 50.06 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.905 0.383 . . . . 15.0 110.738 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.215 0 CA-C-O 118.748 -0.644 . . . . 15.0 110.323 179.661 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 112.473 -0.251 . . . . 15.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' SER . . . . . 0.401 ' HB2' ' H ' ' B' ' 103' ' ' VAL . 14.4 p -157.97 -151.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.723 0.262 . . . . 15.0 110.414 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . 0.401 ' H ' ' HB2' ' B' ' 102' ' ' SER . 5.5 p -76.4 74.11 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-O 122.221 1.01 . . . . 15.0 110.523 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -86.93 8.34 23.55 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.361 -0.836 . . . . 15.0 112.197 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -71.48 -27.07 62.98 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.159 0.504 . . . . 15.0 109.838 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -102.2 41.02 1.26 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.75 -0.659 . . . . 15.0 109.55 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -56.9 15.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.633 -0.712 . . . . 15.0 112.627 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.58 -42.35 95.69 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.829 0.307 . . . . 15.0 111.829 -178.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -62.23 -45.48 93.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.052 -0.522 . . . . 15.0 110.787 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.67 -38.04 73.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 15.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -61.84 -48.88 78.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 15.0 110.674 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 65.8 mt -59.49 -41.38 89.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.873 0.368 . . . . 15.0 110.539 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -66.42 -42.54 87.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 15.0 110.359 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -67.86 -44.4 77.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.531 . . . . 15.0 111.101 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 17.3 tp -60.94 -39.18 88.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.113 0.482 . . . . 15.0 110.346 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -68.91 -44.98 72.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.557 -0.747 . . . . 15.0 110.029 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -64.5 -37.52 87.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.897 -0.592 . . . . 15.0 110.747 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -61.88 -44.52 96.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.831 -0.622 . . . . 15.0 111.374 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.18 -35.74 55.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.918 0.39 . . . . 15.0 111.013 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.01 -27.46 65.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.107 -0.497 . . . . 15.0 111.417 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -48.67 -28.4 3.51 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 122.959 0.504 . . . . 15.0 111.623 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -54.35 -67.72 0.24 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.949 -0.569 . . . . 15.0 110.864 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -154.53 4.01 0.24 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.435 0.531 . . . . 15.0 112.435 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.04 3.0 32.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.999 0.428 . . . . 15.0 110.318 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 18.0 tp -58.78 -29.8 67.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.535 -0.757 . . . . 15.0 110.925 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -61.34 -54.68 40.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.808 -0.633 . . . . 15.0 110.526 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -73.75 -33.41 64.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.075 -0.512 . . . . 15.0 110.84 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -58.04 -43.82 87.05 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.347 0.594 . . . . 15.0 109.787 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.43 ' HD3' ' HB2' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -63.83 -38.1 89.83 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.258 -0.883 . . . . 15.0 110.539 179.65 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 1.5 m -71.12 -31.33 67.62 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.319 0.58 . . . . 15.0 110.157 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -65.25 -34.82 79.26 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.709 -0.678 . . . . 15.0 109.836 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . 0.494 ' NH1' ' HA ' ' A' ' 40' ' ' HIS . 19.4 mtp180 -59.56 -38.7 81.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.716 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -54.86 -42.87 72.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 15.0 111.32 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 25.2 t70 -85.07 -30.72 23.86 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.079 0.4 . . . . 15.0 112.079 -179.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -74.47 -45.7 44.48 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.182 0.438 . . . . 15.0 112.182 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.34 -38.34 90.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.712 0.292 . . . . 15.0 111.329 -178.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 0.2 OUTLIER -64.08 -32.66 74.3 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.727 -0.471 . . . . 15.0 109.727 179.332 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -76.91 -36.31 56.73 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.896 -0.779 . . . . 15.0 108.896 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.03 -37.15 81.57 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.413 -0.812 . . . . 15.0 110.067 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.76 -38.21 72.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.343 -0.39 . . . . 15.0 110.757 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.74 -38.28 21.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.224 -0.443 . . . . 15.0 111.114 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 38.5 ttp85 -71.66 -44.34 64.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.539 -0.3 . . . . 15.0 111.657 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -61.13 -29.84 70.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.652 -0.249 . . . . 15.0 111.283 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . 0.523 ' O ' ' HB2' ' B' ' 148' ' ' LYS . . . -60.72 -41.96 96.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 15.0 110.641 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.76 -37.1 16.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.917 -0.583 . . . . 15.0 110.834 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -60.47 -55.41 33.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.823 -0.626 . . . . 15.0 111.507 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -70.73 -17.49 62.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.045 0.45 . . . . 15.0 110.898 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . 0.523 ' HB2' ' O ' ' B' ' 144' ' ' ALA . 66.6 tttt -72.63 -26.59 61.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.898 -0.592 . . . . 15.0 109.994 179.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 14.3 tp -105.51 -38.4 6.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.827 -0.624 . . . . 15.0 110.464 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -78.49 83.45 4.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.037 -0.529 . . . . 15.0 110.595 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -65.41 0.69 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.387 -0.824 . . . . 15.0 111.398 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.402 -0.808 . . . . 15.0 110.036 -179.636 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.8 0.333 . . . . 15.0 110.245 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.8 m -100.88 149.9 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 15.0 109.943 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -75.12 -42.98 55.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.929 0.395 . . . . 15.0 110.362 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -69.79 110.51 4.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.971 -0.559 . . . . 15.0 111.271 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -121.2 155.61 34.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.033 -0.531 . . . . 15.0 110.447 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -150.54 99.03 2.71 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.124 -0.324 . . . . 15.0 110.124 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -166.38 162.67 17.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.445 -0.343 . . . . 15.0 110.46 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.9 m -144.07 150.97 39.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.299 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.5 mmt -114.91 154.6 28.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.569 -0.287 . . . . 15.0 110.449 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.59 95.46 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.998 -0.546 . . . . 15.0 112.146 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 39.43 -101.9 0.02 OUTLIER Glycine 0 CA--C 1.522 0.53 0 O-C-N 124.17 0.919 . . . . 15.0 115.148 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.589 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 47.8 t -65.1 -39.2 92.83 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 122.983 0.513 . . . . 15.0 111.602 -179.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.11 48.39 75.8 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.746 -0.74 . . . . 15.0 111.674 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.9 -38.13 87.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.86 0.362 . . . . 15.0 111.109 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -96.76 27.92 3.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.17 -0.468 . . . . 15.0 111.204 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -66.8 110.58 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 15.0 110.839 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -109.14 26.75 10.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.326 0.584 . . . . 15.0 110.306 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.59 159.65 53.11 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.608 -0.724 . . . . 15.0 112.453 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -92.49 105.68 17.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.878 0.371 . . . . 15.0 111.034 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.5 tt -162.66 137.67 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.914 -0.584 . . . . 15.0 109.511 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.37 25.27 3.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.15 0.5 . . . . 15.0 110.979 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -130.6 136.23 48.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.995 -0.548 . . . . 15.0 110.254 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.7 p -80.22 177.23 9.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.752 0.31 . . . . 15.0 110.753 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -70.02 -15.9 63.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.223 0.535 . . . . 15.0 110.328 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.62 -2.73 58.81 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.85 -0.614 . . . . 15.0 110.855 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.46 25.12 63.95 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.892 -0.67 . . . . 15.0 112.419 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.1 mt -98.08 163.18 12.86 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.919 -0.401 . . . . 15.0 109.919 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -91.15 144.03 26.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.011 0.434 . . . . 15.0 110.578 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.61 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 3.5 t -96.34 141.88 29.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.808 -0.633 . . . . 15.0 111.897 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -88.06 139.13 30.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.547 -0.752 . . . . 15.0 109.848 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.442 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -62.6 141.58 58.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.499 -0.319 . . . . 15.0 110.961 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -63.83 -23.01 67.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.063 -0.517 . . . . 15.0 111.591 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -98.68 -9.86 24.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.454 -0.339 . . . . 15.0 111.426 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.442 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 13.0 t -77.21 146.12 37.18 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 108.341 -0.985 . . . . 15.0 108.341 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -118.93 60.37 0.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.76 1.022 . . . . 15.0 113.76 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.18 161.15 79.94 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 105.016 -2.216 . . . . 15.0 105.016 174.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -72.28 97.49 0.86 Allowed 'Trans proline' 0 N--CA 1.455 -0.768 0 CA-C-N 122.084 1.78 . . . . 15.0 111.918 -178.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.521 ' NE2' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -124.63 162.65 23.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.025 -1.443 . . . . 15.0 110.141 176.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.75 113.34 26.78 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 106.961 -1.496 . . . . 15.0 106.961 174.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -171.62 -176.35 1.77 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.292 0.568 . . . . 15.0 112.314 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.7 28.37 0.48 Allowed Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.026 -0.988 . . . . 15.0 110.792 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -94.59 73.29 3.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.958 0.409 . . . . 15.0 110.941 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.421 HG21 ' H ' ' A' ' 45' ' ' SER . 33.0 mm -79.97 131.37 63.54 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.092 -0.504 . . . . 15.0 110.093 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -52.75 -31.23 50.05 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.991 2.461 . . . . 15.0 112.595 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.421 ' H ' HG21 ' A' ' 43' ' ' ILE . 1.1 m -70.69 -11.6 61.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.017 -0.538 . . . . 15.0 111.431 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -99.05 -15.4 19.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.514 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -136.4 60.07 30.04 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.29 -0.414 . . . . 15.0 111.206 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.74 -24.03 18.66 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 121.897 1.732 . . . . 15.0 111.972 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -77.53 -12.27 59.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.825 -0.625 . . . . 15.0 111.413 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -98.05 3.98 49.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.016 0.436 . . . . 15.0 109.991 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 55.4 t30 52.39 61.52 3.16 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.092 -0.958 . . . . 15.0 111.94 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.1 mp -84.42 109.46 17.89 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.52 -0.548 . . . . 15.0 109.52 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -146.52 148.99 32.76 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 116.187 -0.46 . . . . 15.0 110.355 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt 51.83 -142.1 0.76 Allowed 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.593 0.558 . . . . 15.0 111.261 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -118.87 28.99 7.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.112 0.482 . . . . 15.0 110.249 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -77.87 140.53 39.34 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.874 -0.603 . . . . 15.0 110.364 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 9.3 t -60.46 129.89 43.87 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.826 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -134.67 166.44 22.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.999 -0.546 . . . . 15.0 109.869 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -126.94 75.54 76.19 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.653 -0.499 . . . . 15.0 109.653 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -87.91 -4.94 7.02 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.696 2.264 . . . . 15.0 111.728 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.451 ' OD2' ' HB2' ' B' ' 129' ' ' LYS . 0.4 OUTLIER -91.67 -23.17 19.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.538 -0.755 . . . . 15.0 110.213 -179.622 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 mtm105 65.55 35.98 6.85 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.643 -0.708 . . . . 15.0 109.932 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -89.51 -169.47 2.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.87 -1.059 . . . . 15.0 110.155 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.5 mt -49.65 -46.73 49.99 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.906 0.706 . . . . 15.0 112.906 -178.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -156.17 155.85 29.6 Favored Pre-proline 0 C--N 1.331 -0.239 0 C-N-CA 120.715 -0.394 . . . . 15.0 111.756 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.589 ' HD3' ' O ' ' A' ' 12' ' ' SER . 32.0 Cg_exo -56.6 144.13 86.42 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.956 2.437 . . . . 15.0 113.717 -179.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 43.8 p-90 -139.34 -176.44 4.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.022 -0.99 . . . . 15.0 109.425 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.61 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 2.5 p -165.67 154.22 11.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.626 0.25 . . . . 15.0 110.701 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -75.52 133.51 40.99 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.488 -0.56 . . . . 15.0 109.488 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.31 155.62 16.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.233 -0.44 . . . . 15.0 111.454 -178.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.64 11.3 3.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 15.0 112.086 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.406 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.5 OUTLIER -94.62 127.37 44.02 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 110.399 -0.223 . . . . 15.0 110.399 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 18.4 Cg_exo -66.12 -19.5 57.08 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.395 2.063 . . . . 15.0 112.866 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -88.2 -18.29 29.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.538 -0.301 . . . . 15.0 111.411 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.8 tptp -133.23 109.57 9.51 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.855 -0.424 . . . . 15.0 109.855 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.521 ' HA ' ' NE2' ' A' ' 38' ' ' HIS . 9.1 mtm180 -64.34 -56.0 17.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.278 -0.419 . . . . 15.0 111.388 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.9 p-90 -146.71 153.73 40.6 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.794 -0.363 . . . . 15.0 110.673 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -139.06 165.05 28.15 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.079 -0.509 . . . . 15.0 110.63 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -83.4 160.97 21.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.548 -0.751 . . . . 15.0 111.718 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.6 t -118.06 134.32 55.09 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.035 -0.728 . . . . 15.0 109.035 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -89.3 96.7 10.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.012 0.434 . . . . 15.0 110.867 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.5 mt -111.85 125.64 29.94 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.535 -0.757 . . . . 15.0 109.983 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.91 122.98 12.52 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 122.886 2.391 . . . . 15.0 112.841 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -98.58 159.68 14.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.744 -0.662 . . . . 15.0 110.237 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 17.7 m -72.68 149.04 44.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.348 -0.387 . . . . 15.0 110.666 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.07 -20.39 48.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.014 0.435 . . . . 15.0 110.985 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.294 -0.86 . . . . 15.0 110.442 179.828 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.806 0 N-CA-C 112.052 -0.419 . . . . 15.0 112.052 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.64 153.59 21.04 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.389 -0.226 . . . . 15.0 110.389 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 14.5 p -64.83 134.74 29.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 121.302 0.572 . . . . 15.0 111.454 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -122.22 43.42 2.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.004 -0.544 . . . . 15.0 110.856 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -68.76 -30.02 68.53 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.138 -0.483 . . . . 15.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -97.67 77.15 2.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.959 -0.564 . . . . 15.0 110.587 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -63.48 1.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.874 0.369 . . . . 15.0 111.97 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.91 -36.88 78.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.29 -0.414 . . . . 15.0 111.977 -178.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -51.34 69.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.161 -0.472 . . . . 15.0 111.326 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.03 -36.23 74.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.087 -0.506 . . . . 15.0 111.154 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.47 -50.24 72.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.433 -0.349 . . . . 15.0 110.645 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 99.4 mt -62.66 -47.75 82.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 15.0 110.858 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -60.11 -46.45 89.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.851 -0.613 . . . . 15.0 111.495 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -66.71 -46.13 76.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.634 -0.257 . . . . 15.0 110.956 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 27.7 tp -56.41 -50.1 72.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 15.0 110.716 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -62.89 -38.66 91.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.625 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -63.56 -45.59 89.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.335 -0.393 . . . . 15.0 111.161 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -68.91 -34.2 75.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.631 -0.259 . . . . 15.0 111.157 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.47 -45.27 60.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.136 0.493 . . . . 15.0 110.285 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.23 -18.87 61.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.949 -0.569 . . . . 15.0 111.552 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -52.6 -24.66 8.74 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 122.94 0.496 . . . . 15.0 112.332 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.28 -69.27 0.23 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.487 -0.324 . . . . 15.0 111.572 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -137.39 -4.78 1.84 Allowed 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.379 0.511 . . . . 15.0 112.379 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -97.64 11.22 37.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.516 -0.311 . . . . 15.0 110.581 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 33.6 tp -56.93 -37.85 72.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.235 -0.439 . . . . 15.0 111.874 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.13 -36.91 82.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.387 -0.369 . . . . 15.0 111.009 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 37.6 ttp85 -81.45 -25.1 36.4 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.579 -0.448 . . . . 15.0 109.986 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -59.32 -51.18 71.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 15.0 110.174 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.479 ' HG2' ' N ' ' B' ' 130' ' ' SER . 0.1 OUTLIER -63.08 -39.34 94.43 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.392 -0.367 . . . . 15.0 110.923 -179.729 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' SER . . . . . 0.479 ' N ' ' HG2' ' B' ' 129' ' ' LYS . 1.6 m -65.31 -42.44 93.02 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.044 0.449 . . . . 15.0 110.954 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -65.76 -42.5 90.79 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.096 -0.502 . . . . 15.0 109.793 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -43.87 79.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.73 -0.668 . . . . 15.0 110.355 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -53.46 53.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.415 -0.811 . . . . 15.0 112.072 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . 0.501 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 15.3 t70 -74.68 -32.27 62.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.284 -0.416 . . . . 15.0 112.002 -178.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -69.77 -39.66 76.52 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.709 0.29 . . . . 15.0 110.975 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -61.52 -43.38 98.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.161 -0.472 . . . . 15.0 110.947 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 3.9 ptpt -66.64 -20.43 65.99 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.417 -0.356 . . . . 15.0 110.881 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -85.05 -31.65 23.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.4 0.619 . . . . 15.0 109.402 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' B' ' 143' ' ' LYS . 49.5 mm-40 -75.61 -8.86 57.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.402 -0.817 . . . . 15.0 110.641 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.03 -59.46 4.88 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.311 0.382 . . . . 15.0 111.55 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 41.0 mp0 -79.11 -34.82 43.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.929 0.395 . . . . 15.0 110.745 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 9.2 ttp85 -62.09 -49.0 77.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.252 -0.431 . . . . 15.0 111.312 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' B' ' 139' ' ' GLU . 28.4 mmtm -68.5 -33.11 73.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.306 0.098 . . . . 15.0 110.971 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -55.99 -43.99 78.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 15.0 111.106 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -89.22 -28.44 19.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.223 -0.444 . . . . 15.0 111.567 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -68.16 -51.63 43.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.517 -0.311 . . . . 15.0 110.428 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -64.66 -31.0 72.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.165 0.507 . . . . 15.0 110.149 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -67.78 -49.2 63.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.672 -0.694 . . . . 15.0 110.821 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 20.2 tp -73.93 -42.25 60.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.97 0.414 . . . . 15.0 110.529 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -94.13 86.85 5.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.221 0.534 . . . . 15.0 110.565 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -74.84 -16.44 60.69 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.943 -0.572 . . . . 15.0 109.865 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 . . . . . 0 C--O 1.246 0.876 0 CA-C-O 118.507 -0.758 . . . . 15.0 109.517 178.626 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.94 0.4 . . . . 15.0 110.239 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.4 m -112.62 156.64 13.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.262 -0.426 . . . . 15.0 110.132 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -82.59 -25.84 32.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.895 0.378 . . . . 15.0 110.853 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -100.26 114.73 28.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.252 -0.431 . . . . 15.0 110.061 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m -149.09 119.98 7.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.497 -0.32 . . . . 15.0 110.275 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -86.06 132.68 33.99 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.305 -0.407 . . . . 15.0 110.839 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -167.26 156.39 10.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 15.0 111.206 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.9 m -143.21 137.76 29.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.763 -0.653 . . . . 15.0 110.024 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.4 mmt -117.45 168.87 9.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.115 0.484 . . . . 15.0 111.526 -178.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -66.01 151.83 45.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.379 -0.828 . . . . 15.0 110.561 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -47.42 -65.69 2.24 Favored Glycine 0 C--N 1.332 0.354 0 O-C-N 123.487 0.492 . . . . 15.0 114.263 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 m -68.17 -42.89 79.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.967 0.413 . . . . 15.0 111.126 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.5 31.76 62.78 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.727 -0.749 . . . . 15.0 112.924 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.05 -32.4 59.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.343 0.592 . . . . 15.0 109.728 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -89.23 27.17 1.46 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.451 -0.795 . . . . 15.0 109.886 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -67.85 114.84 6.76 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.668 -0.696 . . . . 15.0 110.679 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.58 19.53 18.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.789 -0.641 . . . . 15.0 109.852 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.41 164.5 52.5 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.266 -0.879 . . . . 15.0 113.013 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -112.93 106.24 14.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.879 0.371 . . . . 15.0 110.576 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 tt -155.06 126.48 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.641 -0.503 . . . . 15.0 109.641 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.77 3.88 27.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.225 -0.443 . . . . 15.0 111.726 -178.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -117.75 152.75 34.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.831 0.348 . . . . 15.0 110.639 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.4 p -89.82 179.33 6.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.39 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -66.02 -17.73 64.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.75 0.31 . . . . 15.0 111.229 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -93.17 -5.94 48.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.276 -0.42 . . . . 15.0 111.363 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.31 7.79 69.28 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.491 -0.862 . . . . 15.0 112.838 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.5 mt -84.34 157.02 21.62 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.896 -0.409 . . . . 15.0 109.896 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -81.78 139.78 34.61 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.109 0.481 . . . . 15.0 111.598 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.588 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 6.9 t -87.76 135.89 33.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.68 -0.691 . . . . 15.0 110.598 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -82.32 138.25 34.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.911 -0.586 . . . . 15.0 110.096 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.532 ' HB1' ' OG ' ' A' ' 34' ' ' SER . . . -65.19 138.56 58.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.965 0.412 . . . . 15.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -66.3 -20.75 66.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.502 -0.772 . . . . 15.0 111.179 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -103.16 4.81 37.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.46 -0.337 . . . . 15.0 111.051 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.532 ' OG ' ' HB1' ' A' ' 31' ' ' ALA . 24.0 m -91.1 128.68 37.01 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.846 -0.427 . . . . 15.0 109.846 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -90.86 43.01 1.13 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.336 0.495 . . . . 15.0 112.336 -178.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -67.28 139.6 94.91 Favored Pre-proline 0 C--O 1.235 0.336 0 N-CA-C 105.032 -2.21 . . . . 15.0 105.032 175.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -71.03 98.1 0.79 Allowed 'Trans proline' 0 N--CA 1.456 -0.687 0 CA-C-N 120.522 1.222 . . . . 15.0 114.045 -175.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.417 ' NE2' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -124.03 165.73 16.96 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 113.235 -1.802 . . . . 15.0 107.738 174.761 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -96.79 111.5 23.65 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.448 -1.315 . . . . 15.0 107.448 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -171.15 176.0 4.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.875 0.369 . . . . 15.0 111.373 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -145.07 39.36 1.19 Allowed Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.666 -0.697 . . . . 15.0 111.601 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -105.73 125.71 51.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.709 0.29 . . . . 15.0 111.121 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.491 ' HB ' ' CD ' ' A' ' 46' ' ' LYS . 35.6 mm -136.35 133.42 19.36 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 108.602 -0.888 . . . . 15.0 108.602 179.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -50.28 -34.85 41.8 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.072 2.515 . . . . 15.0 113.404 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.458 ' H ' HG21 ' A' ' 43' ' ' ILE . 1.4 m -71.62 -4.94 30.01 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.32 0.489 . . . . 15.0 112.32 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.491 ' CD ' ' HB ' ' A' ' 43' ' ' ILE . 39.9 mtpt -102.81 -17.96 15.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.988 0.423 . . . . 15.0 110.404 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.428 ' N ' ' HD3' ' A' ' 48' ' ' PRO . 81.0 m-85 -136.27 62.34 43.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 15.0 110.531 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 47' ' ' PHE . 3.3 Cg_exo -74.14 -27.27 11.92 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.501 2.134 . . . . 15.0 112.135 -178.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -75.87 -15.74 60.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 15.0 110.79 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -94.39 -0.05 55.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.134 -0.485 . . . . 15.0 110.324 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.9 t30 56.68 61.3 2.7 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.346 -0.843 . . . . 15.0 111.683 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 mp -93.64 110.38 21.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.023 -0.535 . . . . 15.0 109.649 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -146.4 152.79 39.63 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.183 -0.462 . . . . 15.0 109.809 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt 53.38 -129.29 2.32 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.722 0.639 . . . . 15.0 111.147 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.452 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . 29.7 p-10 -131.14 32.26 4.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.092 0.472 . . . . 15.0 110.292 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -72.38 147.48 46.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.815 -0.63 . . . . 15.0 110.501 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 5.8 t -67.55 126.76 30.33 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.129 -0.693 . . . . 15.0 109.129 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -137.55 176.13 8.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.74 0.305 . . . . 15.0 110.57 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -147.06 92.64 4.9 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-O 121.109 0.48 . . . . 15.0 109.852 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -84.5 -1.85 9.76 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.358 2.038 . . . . 15.0 113.63 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 62' ' ' ARG . 32.2 t70 -104.26 -24.8 13.08 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.904 -0.318 . . . . 15.0 111.555 -179.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 19.4 mtm180 74.99 37.96 0.46 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.688 0.618 . . . . 15.0 109.336 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -81.49 -169.59 2.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.539 -0.755 . . . . 15.0 111.104 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.08 -39.93 43.98 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.64 0.978 . . . . 15.0 113.64 -178.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -163.35 152.94 12.77 Favored Pre-proline 0 N--CA 1.468 0.425 0 CA-C-N 118.327 0.512 . . . . 15.0 112.028 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.2 149.43 28.35 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.144 2.563 . . . . 15.0 113.378 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 -146.8 171.22 15.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.238 -0.892 . . . . 15.0 109.789 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.588 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -161.12 155.25 22.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.412 -0.358 . . . . 15.0 110.601 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -73.68 143.21 46.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.114 -0.494 . . . . 15.0 109.809 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.47 156.79 17.08 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.789 0.328 . . . . 15.0 111.181 -179.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.73 34.93 1.28 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.422 0.63 . . . . 15.0 110.389 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -114.46 127.23 27.03 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.639 -0.71 . . . . 15.0 110.081 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.5 -21.01 52.11 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.778 2.319 . . . . 15.0 113.311 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -101.65 3.93 40.29 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.644 0.238 . . . . 15.0 111.644 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -141.06 115.15 9.21 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.81 -0.356 . . . . 15.0 110.971 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.417 ' HA ' ' NE2' ' A' ' 38' ' ' HIS . 81.0 mtt-85 -67.69 -63.22 1.1 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.184 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.2 p-90 -145.36 164.87 30.14 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.278 -0.638 . . . . 15.0 109.278 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -139.33 163.93 31.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.363 0.601 . . . . 15.0 111.55 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -86.49 162.45 18.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.742 -1.117 . . . . 15.0 110.87 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 8.0 t -116.76 144.82 44.01 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.056 -0.72 . . . . 15.0 109.056 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -111.56 105.11 13.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.78 0.324 . . . . 15.0 110.402 -178.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mt -128.2 134.08 25.85 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.134 -0.485 . . . . 15.0 109.95 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -65.49 123.4 11.39 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.31 2.006 . . . . 15.0 112.217 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.69 156.64 17.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.358 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.0 m -69.92 150.87 46.28 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.857 -0.61 . . . . 15.0 110.573 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.9 60.53 4.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.375 0.607 . . . . 15.0 110.672 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.237 -0.887 . . . . 15.0 109.839 -179.661 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.789 0 N-CA-C 112.28 -0.328 . . . . 15.0 112.28 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 6.0 t -146.42 -157.25 0.79 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.6 -0.518 . . . . 15.0 109.6 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 3.6 p -70.95 101.21 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.856 0.836 . . . . 15.0 109.855 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -116.4 15.73 15.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.206 -0.906 . . . . 15.0 110.601 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -59.33 -45.6 90.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.628 -0.715 . . . . 15.0 110.717 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -97.74 53.37 1.11 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.019 -0.537 . . . . 15.0 109.786 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -39.69 85.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.586 -0.734 . . . . 15.0 111.948 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.521 ' O ' ' HG ' ' B' ' 112' ' ' LEU . . . -74.2 -43.8 55.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.74 0.305 . . . . 15.0 110.53 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.07 -49.7 76.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.955 -0.566 . . . . 15.0 110.707 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.62 -38.28 90.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.829 -0.623 . . . . 15.0 111.146 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.56 -52.44 65.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.938 0.399 . . . . 15.0 110.605 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' B' ' 108' ' ' ALA . 41.7 mt -61.68 -43.96 97.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.83 -0.623 . . . . 15.0 111.076 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -64.12 -44.42 92.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.089 -0.505 . . . . 15.0 111.163 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -66.01 -47.64 73.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.714 -0.221 . . . . 15.0 111.241 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 36.7 tp -60.42 -44.14 96.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.76 0.314 . . . . 15.0 110.808 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -65.96 -46.57 77.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.029 -0.532 . . . . 15.0 110.653 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -62.52 -49.01 77.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.989 -0.551 . . . . 15.0 111.553 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.73 -34.18 75.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 15.0 111.804 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.6 -32.09 60.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.428 0.633 . . . . 15.0 109.956 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -78.38 -17.59 56.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.43 -0.804 . . . . 15.0 111.45 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.34 -24.19 0.45 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.339 0.866 . . . . 15.0 113.339 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -64.21 -59.77 4.02 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.515 0.198 . . . . 15.0 111.204 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -149.01 -31.16 0.24 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.731 0.271 . . . . 15.0 111.731 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.74 -8.71 15.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.376 -0.375 . . . . 15.0 111.594 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 25.1 tp -53.87 -34.05 58.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.386 . . . . 15.0 111.007 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.401 ' CD ' ' HZ3' ' B' ' 129' ' ' LYS . 25.5 mm-40 -64.56 -46.49 82.56 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.072 -0.513 . . . . 15.0 110.266 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 52.9 ttp85 -71.98 -33.2 67.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.271 -0.422 . . . . 15.0 110.233 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -60.48 -39.52 87.98 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 108.342 -0.985 . . . . 15.0 108.342 178.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.401 ' HZ3' ' CD ' ' B' ' 126' ' ' GLU . 17.8 ttmt -60.97 -47.05 88.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.486 -1.234 . . . . 15.0 110.019 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 1.4 m -68.98 -30.3 68.68 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.571 -0.74 . . . . 15.0 110.784 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -69.41 -45.68 68.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 15.0 110.071 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -33.4 68.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.936 -0.575 . . . . 15.0 110.151 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.6 -46.34 89.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.169 -0.923 . . . . 15.0 111.413 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . 0.614 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 32.7 t70 -84.54 -35.93 22.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.163 -0.471 . . . . 15.0 112.132 -178.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -62.65 -24.42 67.6 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.225 0.454 . . . . 15.0 112.225 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -63.82 -44.75 92.29 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.173 0.434 . . . . 15.0 112.173 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 8.2 ptpt -63.24 -30.92 71.97 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.899 0.381 . . . . 15.0 110.354 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -79.12 -36.43 40.62 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.506 -0.553 . . . . 15.0 109.506 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.17 -42.92 95.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.47 -0.786 . . . . 15.0 110.034 179.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.17 93.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.107 -0.497 . . . . 15.0 110.592 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -68.15 -28.44 67.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.792 -0.64 . . . . 15.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -87.45 -55.0 3.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.097 -0.501 . . . . 15.0 111.585 -179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -56.89 -27.44 60.67 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.532 0.567 . . . . 15.0 112.532 -178.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -52.81 -47.98 67.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 15.0 110.632 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -91.2 -41.59 10.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 15.0 111.035 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -55.59 -53.7 53.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.671 -0.695 . . . . 15.0 112.336 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -70.62 -26.09 63.33 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.115 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -69.85 -46.95 64.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.113 -0.494 . . . . 15.0 110.256 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 38.7 tp -67.18 -44.25 80.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.348 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -77.35 97.71 4.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.919 0.39 . . . . 15.0 110.709 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 151' ' ' ASP . . . . . 0.402 ' OD2' ' HD1' ' B' ' 152' ' ' TYR . 8.4 p-10 -77.4 -26.1 51.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.261 -0.427 . . . . 15.0 110.995 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . 0.402 ' HD1' ' OD2' ' B' ' 151' ' ' ASP . 3.1 m-85 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.396 -0.812 . . . . 15.0 110.386 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 121.031 0.443 . . . . 15.0 110.443 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.1 m -137.46 172.52 14.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.919 -0.582 . . . . 15.0 110.037 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -85.03 -32.14 23.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.933 0.396 . . . . 15.0 110.451 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -80.62 84.21 6.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.908 -0.587 . . . . 15.0 111.429 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.75 130.45 46.79 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.002 -0.545 . . . . 15.0 110.455 179.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -130.09 128.03 41.05 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.467 -0.333 . . . . 15.0 110.271 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -163.38 161.03 24.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.394 . . . . 15.0 110.514 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 57.1 m -143.56 135.13 26.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.343 -0.389 . . . . 15.0 110.446 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.2 mmt -113.94 160.43 18.82 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.868 0.366 . . . . 15.0 111.176 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -81.49 96.76 7.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.659 -0.7 . . . . 15.0 112.028 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 44.04 -109.41 0.25 Allowed Glycine 0 C--N 1.332 0.313 0 CA-C-N 115.092 -0.958 . . . . 15.0 114.912 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.439 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 71.4 m -68.96 -26.45 65.06 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.417 0.525 . . . . 15.0 112.417 -178.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.86 52.8 50.12 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.517 -0.849 . . . . 15.0 111.681 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -67.8 -17.43 64.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.051 0.453 . . . . 15.0 111.018 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -109.01 24.27 13.37 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.293 0.568 . . . . 15.0 109.763 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -69.53 109.14 4.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.762 -0.653 . . . . 15.0 110.099 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.456 ' HA ' ' NH2' ' A' ' 58' ' ' ARG . 26.6 t0 -113.78 32.46 5.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.397 0.618 . . . . 15.0 109.997 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.87 144.05 28.39 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.52 -0.764 . . . . 15.0 111.733 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -80.06 105.81 11.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.402 0.62 . . . . 15.0 111.022 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.9 tt -158.0 131.52 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.209 -0.905 . . . . 15.0 109.557 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.94 32.99 5.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.023 0.439 . . . . 15.0 110.734 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -137.1 147.22 45.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.069 -0.514 . . . . 15.0 110.516 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.3 p -88.95 177.8 6.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.074 -0.512 . . . . 15.0 110.376 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -70.04 -15.33 62.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 15.0 110.217 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.5 m -88.24 2.23 52.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 15.0 110.69 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.7 24.11 75.24 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 120.946 -0.645 . . . . 15.0 112.596 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.2 mt -96.89 163.49 12.95 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.144 -0.317 . . . . 15.0 110.144 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -88.51 141.31 28.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.05 0.452 . . . . 15.0 111.106 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.549 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 43.0 t -91.38 140.31 29.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.737 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -86.04 147.67 26.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.557 -0.747 . . . . 15.0 109.495 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.23 139.37 50.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.82 0.343 . . . . 15.0 110.145 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -65.17 -23.02 66.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.754 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -101.84 13.84 33.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.19 -0.459 . . . . 15.0 111.29 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -81.2 168.77 18.15 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.624 0.249 . . . . 15.0 110.83 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.415 ' NE2' ' HA ' ' A' ' 35' ' ' GLN . 1.4 mm-40 -118.12 22.47 12.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.395 -0.366 . . . . 15.0 111.845 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.41 133.33 94.39 Favored Pre-proline 0 N--CA 1.45 -0.442 0 N-CA-C 105.974 -1.862 . . . . 15.0 105.974 177.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.31 101.06 1.2 Allowed 'Trans proline' 0 N--CA 1.455 -0.748 0 CA-C-N 119.584 0.887 . . . . 15.0 114.153 -175.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.448 ' CD2' ' HG2' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -122.57 162.91 20.94 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 113.931 -1.486 . . . . 15.0 108.348 175.22 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.19 111.83 23.59 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.536 -0.913 . . . . 15.0 108.536 176.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -171.5 -178.97 2.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.821 0.343 . . . . 15.0 111.055 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.83 25.05 0.73 Allowed Glycine 0 N--CA 1.452 -0.299 0 N-CA-C 111.418 -0.673 . . . . 15.0 111.418 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.401 ' CE2' ' HG3' ' B' ' 129' ' ' LYS . 14.6 m-85 -97.93 109.18 21.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.04 0.447 . . . . 15.0 110.559 -179.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.8 mm -112.02 135.52 21.27 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 115.662 -0.699 . . . . 15.0 109.275 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -50.14 -34.03 37.66 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.934 2.423 . . . . 15.0 113.542 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.59 -16.47 64.19 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.908 0.385 . . . . 15.0 111.455 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -94.06 -11.94 29.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.434 -0.348 . . . . 15.0 110.503 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -134.73 61.96 51.07 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.15 -0.477 . . . . 15.0 110.972 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -73.31 -24.25 16.85 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 121.92 1.747 . . . . 15.0 112.147 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -80.43 -21.74 41.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.664 -0.698 . . . . 15.0 111.099 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt -87.45 0.91 54.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.881 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.1 t30 55.43 53.09 10.28 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.656 -0.702 . . . . 15.0 111.63 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 mp -83.81 110.44 18.35 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.198 -0.667 . . . . 15.0 109.198 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -147.66 150.25 34.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.444 -0.344 . . . . 15.0 110.52 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt 54.76 -136.16 1.33 Allowed 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.739 0.65 . . . . 15.0 111.594 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -127.21 35.07 4.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.512 0.672 . . . . 15.0 109.81 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -83.58 147.34 27.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.543 -0.753 . . . . 15.0 110.499 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 14.8 t -61.62 126.66 28.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.934 -0.575 . . . . 15.0 110.016 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.456 ' NH2' ' HA ' ' A' ' 17' ' ' ASP . 2.2 mmp_? -133.2 165.15 25.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.133 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -136.78 81.93 33.24 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 121.136 0.493 . . . . 15.0 110.125 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -85.52 6.33 5.67 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.578 2.185 . . . . 15.0 112.835 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -110.88 -13.97 14.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.623 0.249 . . . . 15.0 111.227 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 63.45 36.07 11.61 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.005 -0.543 . . . . 15.0 110.774 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.58 -171.74 2.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 15.0 110.907 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.1 mp -51.78 -46.55 64.21 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.182 0.808 . . . . 15.0 113.182 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.4 ' NH2' ' HA ' ' A' ' 81' ' ' ASP . 2.4 ptm180 -152.92 146.41 18.03 Favored Pre-proline 0 N--CA 1.465 0.308 0 C-N-CA 121.019 -0.272 . . . . 15.0 111.597 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.439 ' HD3' ' O ' ' A' ' 12' ' ' SER . 61.0 Cg_exo -51.37 142.35 37.95 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.196 2.597 . . . . 15.0 113.909 -179.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 18.7 p-90 -130.88 176.87 7.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.788 -1.097 . . . . 15.0 109.472 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.549 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -161.93 149.03 14.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.795 0.331 . . . . 15.0 110.995 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -74.4 134.98 42.4 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.4 -0.593 . . . . 15.0 109.4 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.54 174.95 6.86 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 120.652 0.263 . . . . 15.0 110.808 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.14 17.19 23.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.21 0.529 . . . . 15.0 110.384 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.427 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.8 OUTLIER -95.32 134.68 24.09 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.546 -0.752 . . . . 15.0 110.23 -179.691 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 17.0 Cg_exo -66.13 -27.74 49.13 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.368 2.045 . . . . 15.0 112.678 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -87.67 -8.32 56.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.196 -0.456 . . . . 15.0 111.812 -178.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -141.36 108.55 5.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.79 0.329 . . . . 15.0 110.383 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.448 ' HG2' ' CD2' ' A' ' 38' ' ' HIS . 26.6 mtm-85 -67.05 -49.84 63.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.093 -0.503 . . . . 15.0 111.309 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.2 p-90 -147.68 159.49 43.73 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.011 -0.54 . . . . 15.0 109.976 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -145.93 173.36 12.21 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.146 -0.316 . . . . 15.0 110.146 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -95.36 161.76 13.95 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.149 0.499 . . . . 15.0 111.289 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 6.9 t -117.39 160.38 21.25 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.117 -0.697 . . . . 15.0 109.117 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.4 ' HA ' ' NH2' ' A' ' 65' ' ' ARG . 38.0 t70 -111.51 110.74 21.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.033 0.444 . . . . 15.0 111.253 -179.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.8 mt -124.37 130.18 24.42 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.787 -0.642 . . . . 15.0 109.933 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.94 123.57 12.85 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.672 2.248 . . . . 15.0 112.07 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -104.01 159.57 15.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.222 -0.445 . . . . 15.0 111.02 -178.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 55.7 m -73.62 165.43 25.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.078 -0.51 . . . . 15.0 110.275 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.26 8.31 24.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.883 0.373 . . . . 15.0 111.159 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.497 -0.763 . . . . 15.0 110.784 -179.85 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 112.154 -0.378 . . . . 15.0 112.154 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 4.1 t -149.12 -153.04 0.47 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.091 -0.707 . . . . 15.0 109.091 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . 0.417 HG13 ' O ' ' B' ' 103' ' ' VAL . 7.0 p -77.0 81.0 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-O 122.323 1.059 . . . . 15.0 110.361 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -92.35 -2.22 56.52 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.478 -0.783 . . . . 15.0 111.134 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -62.37 -42.25 99.26 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.154 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -87.26 50.38 2.0 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.716 -0.475 . . . . 15.0 109.716 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.49 -46.23 76.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.365 -0.834 . . . . 15.0 112.302 -178.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.454 ' O ' ' HG ' ' B' ' 112' ' ' LEU . . . -81.67 -44.55 16.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.876 0.324 . . . . 15.0 111.876 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.27 -48.69 79.64 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.438 -0.347 . . . . 15.0 111.793 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.71 78.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 15.0 110.762 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.44 -50.95 67.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 15.0 110.763 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' B' ' 108' ' ' ALA . 83.0 mt -58.54 -42.69 88.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 15.0 110.946 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -68.36 -42.76 78.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 15.0 111.147 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 38.5 ttm-85 -66.84 -46.98 73.36 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.107 0.254 . . . . 15.0 110.61 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 18.5 tp -55.65 -48.8 74.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.896 -0.593 . . . . 15.0 110.442 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -63.37 -45.87 89.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.455 -0.793 . . . . 15.0 110.614 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -62.27 -41.37 98.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.501 . . . . 15.0 111.474 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -66.79 -33.63 76.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.959 0.409 . . . . 15.0 110.947 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -79.08 -38.55 36.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.134 0.492 . . . . 15.0 110.389 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.86 -18.34 62.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.875 -0.602 . . . . 15.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -52.36 -24.98 8.58 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.761 -0.654 . . . . 15.0 112.168 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -59.3 -71.32 0.12 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.676 0.274 . . . . 15.0 111.114 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -149.35 16.66 0.92 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 15.0 111.807 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -111.33 3.31 18.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.927 0.394 . . . . 15.0 110.033 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 29.6 tp -60.04 -39.06 84.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.716 -0.674 . . . . 15.0 111.441 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -61.52 -43.99 97.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.174 -0.466 . . . . 15.0 110.803 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 24.2 ttp85 -77.0 -36.86 56.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.39 -0.368 . . . . 15.0 110.717 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -58.53 -36.26 73.58 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.539 -0.541 . . . . 15.0 109.539 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.401 ' HG3' ' CE2' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -58.57 -52.91 63.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.459 -0.791 . . . . 15.0 110.279 179.262 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 6.2 m -67.89 -29.84 69.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.788 -0.642 . . . . 15.0 111.074 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -70.04 -42.65 72.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.819 -0.437 . . . . 15.0 109.819 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -32.26 66.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.065 -0.516 . . . . 15.0 110.179 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.17 -52.55 64.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.373 -0.83 . . . . 15.0 111.142 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . 0.559 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 0.7 OUTLIER -79.04 -26.07 43.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.053 -0.521 . . . . 15.0 111.903 -178.381 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -73.44 -30.1 62.99 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 121.143 -0.223 . . . . 15.0 111.502 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -68.81 -40.59 79.48 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.02 0.378 . . . . 15.0 112.02 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 13.9 ptpt -64.41 -29.08 70.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.19 0.519 . . . . 15.0 110.072 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -73.7 -32.58 64.0 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.154 -0.684 . . . . 15.0 109.154 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -68.15 -24.37 64.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.399 -0.819 . . . . 15.0 110.61 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -59.9 -56.46 21.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.384 -0.371 . . . . 15.0 111.104 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.13 -27.18 60.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.309 -0.405 . . . . 15.0 111.219 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 42.7 ttp85 -71.98 -55.59 7.17 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.921 -0.312 . . . . 15.0 110.598 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -62.08 -32.02 72.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.381 -0.372 . . . . 15.0 111.997 -179.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.01 -45.63 71.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 15.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -90.36 -38.32 13.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.1 -0.5 . . . . 15.0 111.182 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.13 -51.92 67.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.921 -0.581 . . . . 15.0 112.442 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.92 -30.66 70.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.733 0.302 . . . . 15.0 111.122 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -71.77 -23.09 61.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.398 0.618 . . . . 15.0 110.054 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 24.4 tp -91.35 -54.47 3.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.747 -0.661 . . . . 15.0 109.883 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -93.6 79.74 4.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.778 -0.647 . . . . 15.0 110.294 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -73.07 -16.55 61.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.858 -0.61 . . . . 15.0 111.274 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 . . . . . 0 C--O 1.245 0.819 0 CA-C-O 118.282 -0.866 . . . . 15.0 110.195 178.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 120.882 0.372 . . . . 15.0 110.204 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.8 m -112.32 164.76 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.118 -0.492 . . . . 15.0 110.793 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -87.05 12.94 10.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.068 0.461 . . . . 15.0 110.945 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -104.08 72.87 1.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.955 -0.566 . . . . 15.0 109.829 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.67 113.96 27.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.593 -0.731 . . . . 15.0 111.304 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -116.83 114.43 23.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.377 -0.374 . . . . 15.0 110.361 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -158.53 175.25 13.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.329 -0.396 . . . . 15.0 111.114 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.3 m -149.35 144.13 26.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.119 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.1 mmt -113.42 166.36 11.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.502 -0.317 . . . . 15.0 110.311 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -88.25 97.69 11.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.101 0.408 . . . . 15.0 112.101 -178.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 50.85 -117.39 5.29 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.331 -0.85 . . . . 15.0 114.147 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.507 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -64.86 -24.87 67.67 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.475 0.31 . . . . 15.0 111.774 -179.206 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.02 49.09 49.96 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.643 -0.789 . . . . 15.0 112.071 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -65.04 -29.27 70.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.387 0.613 . . . . 15.0 110.31 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -94.47 26.92 3.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.62 -0.718 . . . . 15.0 110.656 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -74.68 109.66 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.701 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -113.28 18.9 17.5 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.688 -0.856 . . . . 15.0 108.688 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.6 155.44 33.11 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.253 -0.885 . . . . 15.0 112.669 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -96.33 106.03 18.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.027 0.442 . . . . 15.0 110.791 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.9 tt -159.07 129.82 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.92 -0.582 . . . . 15.0 109.75 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.1 21.9 12.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.17 -0.468 . . . . 15.0 111.222 -179.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -131.95 146.39 52.06 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.368 -0.378 . . . . 15.0 110.306 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.4 p -87.17 179.68 6.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -65.24 -22.49 66.88 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.876 0.37 . . . . 15.0 111.377 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 m -88.23 2.94 51.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.302 -0.408 . . . . 15.0 111.075 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.77 20.02 79.67 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.924 -0.655 . . . . 15.0 112.781 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.5 mt -91.92 150.71 20.88 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.642 -0.328 . . . . 15.0 110.296 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -71.91 138.82 48.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.121 -0.49 . . . . 15.0 111.508 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.59 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 8.0 t -95.01 138.91 32.11 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.78 -0.646 . . . . 15.0 110.43 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -83.43 149.25 26.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.989 -0.55 . . . . 15.0 109.851 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.39 139.8 46.16 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.28 -0.267 . . . . 15.0 110.28 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -66.63 -26.43 67.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.216 0.531 . . . . 15.0 110.758 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.01 -0.05 57.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.008 -0.542 . . . . 15.0 111.235 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.9 t -80.31 162.44 24.56 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.832 -0.803 . . . . 15.0 108.832 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -124.71 36.64 4.56 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.669 -0.412 . . . . 15.0 111.405 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.07 140.2 95.77 Favored Pre-proline 0 N--CA 1.453 -0.308 0 N-CA-C 105.66 -1.978 . . . . 15.0 105.66 176.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -71.64 98.6 0.88 Allowed 'Trans proline' 0 N--CA 1.456 -0.695 0 CA-C-N 120.416 1.184 . . . . 15.0 113.998 -175.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -124.04 164.16 19.96 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 113.214 -1.812 . . . . 15.0 107.827 175.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.62 112.39 21.55 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 107.889 -1.152 . . . . 15.0 107.889 176.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -171.39 179.2 3.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.478 0.656 . . . . 15.0 112.151 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -155.18 24.98 0.6 Allowed Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 109.848 -1.301 . . . . 15.0 109.848 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -90.3 113.01 24.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.993 -0.604 . . . . 15.0 111.74 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.3 mm -119.46 132.23 24.08 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 108.82 -0.808 . . . . 15.0 108.82 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -48.97 -32.71 23.93 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.199 2.599 . . . . 15.0 113.685 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -20.84 65.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.807 0.336 . . . . 15.0 111.609 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -88.46 -20.42 25.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.043 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.441 ' N ' ' HD3' ' A' ' 48' ' ' PRO . 8.3 m-85 -132.09 61.74 59.55 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.649 -0.251 . . . . 15.0 111.52 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 47' ' ' PHE . 4.4 Cg_exo -79.1 -21.19 9.5 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.443 2.095 . . . . 15.0 111.74 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -79.3 -11.74 59.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.6 -0.727 . . . . 15.0 111.081 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -106.05 9.73 32.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.964 0.411 . . . . 15.0 110.431 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.6 t30 51.3 60.75 3.64 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.318 -0.855 . . . . 15.0 111.501 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 tp -84.45 109.98 18.3 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.883 -0.784 . . . . 15.0 108.883 178.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -149.06 146.79 27.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.313 -0.403 . . . . 15.0 111.05 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 50.48 -138.94 0.95 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.636 -0.711 . . . . 15.0 111.714 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.3 p-10 -116.78 43.69 2.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.454 0.645 . . . . 15.0 110.799 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -88.56 141.06 28.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.633 -0.712 . . . . 15.0 110.728 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.8 t -67.52 129.78 40.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.039 -0.528 . . . . 15.0 109.632 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 mmt85 -138.87 167.25 22.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.687 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -127.68 86.05 59.3 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 109.722 -0.473 . . . . 15.0 109.722 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -87.99 -0.52 7.08 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.682 2.255 . . . . 15.0 113.637 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -107.97 -13.0 15.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.852 0.358 . . . . 15.0 110.728 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 67.08 33.85 5.42 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 109.275 -0.639 . . . . 15.0 109.275 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.39 -170.86 2.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.161 -0.927 . . . . 15.0 111.058 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.44 ' O ' ' HA ' ' A' ' 12' ' ' SER . 24.2 mt -49.42 -47.81 47.69 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 113.153 0.797 . . . . 15.0 113.153 -178.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -159.45 150.68 16.32 Favored Pre-proline 0 C--N 1.33 -0.281 0 C-N-CA 120.863 -0.335 . . . . 15.0 111.535 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.507 ' HD3' ' O ' ' A' ' 12' ' ' SER . 81.0 Cg_exo -47.64 140.8 16.38 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.319 2.679 . . . . 15.0 113.686 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 -137.53 175.79 9.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.012 -0.995 . . . . 15.0 109.834 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.59 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 1.1 p -164.28 159.98 20.52 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.638 0.256 . . . . 15.0 110.874 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -79.68 148.61 31.52 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.652 -0.499 . . . . 15.0 109.652 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.69 179.54 5.33 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.494 -0.321 . . . . 15.0 111.376 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.6 6.19 19.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.482 0.658 . . . . 15.0 110.534 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -106.15 122.62 41.64 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.586 -0.734 . . . . 15.0 109.507 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.78 -21.65 26.46 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.007 2.471 . . . . 15.0 113.653 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -79.48 -11.64 59.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.619 -0.264 . . . . 15.0 111.483 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.6 tptp -133.95 123.67 25.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.145 0.497 . . . . 15.0 110.409 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.07 -63.08 1.39 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.108 -0.496 . . . . 15.0 111.303 -178.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -147.24 150.85 35.65 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.51 -0.552 . . . . 15.0 109.51 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -135.47 163.36 30.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.267 0.555 . . . . 15.0 111.668 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -88.29 161.75 16.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.061 -0.972 . . . . 15.0 111.928 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.3 t -119.48 137.7 53.62 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.655 -0.869 . . . . 15.0 108.655 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -97.92 107.76 20.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.985 0.421 . . . . 15.0 111.144 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.6 mt -123.54 128.34 25.24 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.758 -0.656 . . . . 15.0 110.254 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.63 127.4 23.52 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.891 2.394 . . . . 15.0 113.04 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.95 168.09 9.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.774 -0.648 . . . . 15.0 110.418 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 23.0 m -76.59 150.16 36.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.672 0.272 . . . . 15.0 110.744 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.86 -22.16 46.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.114 -0.494 . . . . 15.0 111.578 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.649 -0.691 . . . . 15.0 110.984 -179.581 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 111.771 -0.532 . . . . 15.0 111.771 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 14.3 t -123.65 -167.68 1.66 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.412 -0.588 . . . . 15.0 109.412 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 2.8 p -72.05 88.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 122.265 1.031 . . . . 15.0 109.793 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -105.74 39.92 1.67 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.952 -1.022 . . . . 15.0 111.05 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -58.68 -45.7 88.85 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.7 -0.682 . . . . 15.0 110.984 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -84.16 62.56 7.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.269 -0.423 . . . . 15.0 110.148 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' B' ' 111' ' ' GLU . 0.2 OUTLIER -66.27 -58.76 4.67 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.022 -0.535 . . . . 15.0 111.848 -179.088 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.35 -35.17 31.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.446 -0.343 . . . . 15.0 111.867 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.28 -49.84 75.44 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.136 -0.484 . . . . 15.0 111.748 -178.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.24 -25.89 58.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.717 0.294 . . . . 15.0 111.048 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' B' ' 107' ' ' THR . 38.8 tt0 -56.87 -50.19 73.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.011 -0.541 . . . . 15.0 110.683 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 42.4 mt -68.51 -39.32 81.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.806 -0.633 . . . . 15.0 110.62 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -62.11 -51.1 69.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.118 -0.492 . . . . 15.0 111.182 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -62.81 -42.84 99.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.715 -0.221 . . . . 15.0 110.654 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 14.4 tp -56.84 -50.94 70.91 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.16 -0.473 . . . . 15.0 110.308 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -65.74 -42.49 90.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.797 -0.638 . . . . 15.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -60.42 -39.84 88.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.525 -0.307 . . . . 15.0 111.091 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -67.08 -40.1 86.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.637 -0.256 . . . . 15.0 110.695 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.2 -37.95 69.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.175 0.512 . . . . 15.0 110.612 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.92 -19.0 60.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.259 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -58.5 -17.12 18.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 15.0 111.803 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -69.34 -56.0 8.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.543 -0.299 . . . . 15.0 111.076 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -153.54 -25.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.36 0.504 . . . . 15.0 112.36 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -80.91 15.83 1.67 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.729 0.3 . . . . 15.0 111.58 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 15.8 tp -65.0 -27.94 69.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.882 0.372 . . . . 15.0 110.587 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.484 ' HA ' ' HE3' ' B' ' 129' ' ' LYS . 62.5 mm-40 -66.33 -44.31 83.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.354 0.597 . . . . 15.0 109.598 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 66.8 ttp85 -70.32 -32.49 70.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.671 -0.695 . . . . 15.0 109.885 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.79 -39.93 93.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.481 -0.782 . . . . 15.0 110.038 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.484 ' HE3' ' HA ' ' B' ' 126' ' ' GLU . 21.5 mtmt -62.39 -55.91 23.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 15.0 110.868 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 14.7 m -60.6 -36.3 78.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.916 -0.584 . . . . 15.0 111.51 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -66.47 -36.94 84.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.419 -0.355 . . . . 15.0 110.669 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -30.55 69.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 15.0 110.826 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.3 -47.77 69.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.743 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . 0.576 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 18.2 t70 -73.19 -39.42 65.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.143 -0.481 . . . . 15.0 111.368 -178.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -62.98 -32.19 73.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.524 -0.307 . . . . 15.0 111.352 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.43 -46.74 78.74 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.921 0.341 . . . . 15.0 111.921 -178.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 6.3 ptpt -63.91 -27.9 69.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.759 0.314 . . . . 15.0 110.76 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -80.4 -34.75 36.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.246 0.546 . . . . 15.0 109.957 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -65.29 -41.09 94.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.539 -0.755 . . . . 15.0 110.891 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.55 -27.88 68.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.336 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.79 -35.98 62.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 15.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 15.7 ttp85 -82.54 -48.15 11.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.35 -0.386 . . . . 15.0 110.958 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -57.82 -27.09 62.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.995 -0.548 . . . . 15.0 112.308 -178.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -58.88 -45.04 91.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.865 0.364 . . . . 15.0 110.949 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.23 -34.64 15.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.253 -0.43 . . . . 15.0 110.841 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -59.35 -53.56 56.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.708 -0.678 . . . . 15.0 111.869 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.45 -20.89 62.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.253 0.549 . . . . 15.0 111.123 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -77.65 -34.53 53.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.847 -0.615 . . . . 15.0 110.392 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 11.8 tp -85.21 -45.37 12.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.942 -0.572 . . . . 15.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -112.74 107.72 16.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.262 -0.426 . . . . 15.0 110.599 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -69.37 -31.79 70.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 15.0 110.895 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.325 -0.845 . . . . 15.0 110.096 179.334 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 120.836 0.351 . . . . 15.0 110.299 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.8 m -124.55 165.37 21.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.657 -0.497 . . . . 15.0 109.657 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -78.95 -27.71 43.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.873 0.368 . . . . 15.0 110.805 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -100.15 96.58 7.59 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.121 0.486 . . . . 15.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -100.38 142.55 31.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.005 -0.543 . . . . 15.0 110.004 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -134.32 111.29 10.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.857 0.361 . . . . 15.0 111.076 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -152.01 167.07 29.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.237 -0.438 . . . . 15.0 110.647 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 69.6 m -147.8 139.69 24.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.469 . . . . 15.0 110.093 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 19.1 mmt -115.02 161.86 17.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.931 0.396 . . . . 15.0 111.321 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -77.79 97.03 5.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.726 -0.67 . . . . 15.0 111.517 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 46.73 -112.71 0.96 Allowed Glycine 0 C--N 1.333 0.391 0 CA-C-N 115.913 -0.585 . . . . 15.0 114.123 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.55 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -66.64 -29.89 70.03 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.096 0.406 . . . . 15.0 112.096 -178.844 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.6 59.47 8.18 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.925 -0.655 . . . . 15.0 112.098 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -35.37 71.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.033 0.444 . . . . 15.0 110.303 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -87.79 27.38 1.16 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.83 -0.623 . . . . 15.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -74.38 117.03 15.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.808 -0.633 . . . . 15.0 110.311 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -125.9 32.25 5.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.332 0.587 . . . . 15.0 110.007 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.81 161.64 54.28 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.451 -0.795 . . . . 15.0 112.275 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -90.21 104.99 17.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.044 0.449 . . . . 15.0 110.894 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 tt -159.22 128.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.703 -0.68 . . . . 15.0 109.923 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.32 25.48 6.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.883 -0.598 . . . . 15.0 110.58 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -131.9 152.85 50.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.852 -0.613 . . . . 15.0 110.266 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.7 p -92.04 175.62 6.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.302 -0.408 . . . . 15.0 110.919 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -67.04 -19.01 65.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.657 0.265 . . . . 15.0 111.076 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -88.96 -0.99 57.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.86 0.362 . . . . 15.0 110.964 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.83 21.38 66.12 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.879 -0.677 . . . . 15.0 112.558 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.3 mt -96.28 155.18 16.87 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.317 -0.253 . . . . 15.0 110.317 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -74.26 141.98 45.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.138 0.494 . . . . 15.0 111.16 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.623 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 36.9 t -91.41 138.57 31.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.771 -0.649 . . . . 15.0 110.792 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -85.14 146.16 27.26 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.071 -0.714 . . . . 15.0 109.071 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.478 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -71.74 142.97 49.76 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 121.122 -0.231 . . . . 15.0 110.466 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -66.02 -24.48 66.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.069 0.461 . . . . 15.0 110.882 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -104.07 13.79 31.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.062 -0.517 . . . . 15.0 110.959 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.478 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 30.5 t -70.47 166.6 20.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 15.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -122.78 17.38 10.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.903 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.0 m -66.32 144.48 98.72 Favored Pre-proline 0 C--O 1.235 0.319 0 N-CA-C 105.895 -1.891 . . . . 15.0 105.895 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.41 ' CG ' ' HB3' ' B' ' 102' ' ' SER . 2.9 Cg_endo -76.25 98.9 1.23 Allowed 'Trans proline' 0 N--CA 1.448 -1.175 0 CA-C-N 120.091 1.068 . . . . 15.0 114.285 -174.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.435 ' NE2' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -124.35 164.08 20.38 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 113.443 -1.708 . . . . 15.0 108.181 174.445 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.56 112.53 24.92 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 119.457 -0.897 . . . . 15.0 109.267 177.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -170.6 -177.5 2.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.669 0.271 . . . . 15.0 111.265 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.51 35.25 0.75 Allowed Glycine 0 C--N 1.33 0.236 0 C-N-CA 121.033 -0.603 . . . . 15.0 111.828 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.515 ' HH ' HD11 ' B' ' 128' ' ' LEU . 39.5 m-85 -106.77 112.49 25.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.883 0.373 . . . . 15.0 110.805 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.8 mm -116.59 136.56 23.18 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.813 -0.63 . . . . 15.0 109.477 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -50.47 -33.58 38.72 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.821 2.347 . . . . 15.0 112.859 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 m -68.08 -22.63 64.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.356 . . . . 15.0 111.065 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -90.2 -12.69 37.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 15.0 110.469 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -136.49 60.71 33.47 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.42 -11.37 15.86 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.236 1.957 . . . . 15.0 111.666 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.2 p-10 -89.93 -7.47 54.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.436 -0.802 . . . . 15.0 110.566 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -106.94 2.94 25.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 15.0 110.306 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 56.8 t30 53.88 54.91 9.08 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.465 -0.789 . . . . 15.0 111.856 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 mp -84.3 110.08 18.31 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.47 -0.567 . . . . 15.0 109.47 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -142.84 143.61 32.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.55 -0.295 . . . . 15.0 110.812 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 53.16 -136.44 1.37 Allowed 'General case' 0 CA--C 1.532 0.264 0 O-C-N 123.855 0.722 . . . . 15.0 111.762 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -121.43 46.65 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.186 0.517 . . . . 15.0 110.878 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -97.17 145.23 26.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.244 -0.435 . . . . 15.0 110.559 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 41.2 t -63.09 131.26 47.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 15.0 110.549 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -137.56 164.31 29.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 15.0 110.565 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -126.43 81.85 67.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.024 -0.732 . . . . 15.0 109.024 178.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -86.87 -2.44 8.14 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.537 2.158 . . . . 15.0 113.63 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.493 ' OD2' ' HG3' ' B' ' 129' ' ' LYS . 32.2 t70 -107.63 -11.94 15.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.716 0.293 . . . . 15.0 111.609 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.436 HH12 ' HD2' ' A' ' 62' ' ' ARG . 31.4 mtm105 65.63 32.29 9.28 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.474 -0.565 . . . . 15.0 109.474 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -78.04 -171.95 2.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.637 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' A' ' 12' ' ' SER . 54.9 mt -50.72 -41.94 56.73 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.906 0.706 . . . . 15.0 112.906 -178.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.522 ' HD2' ' O ' ' A' ' 80' ' ' CYS . 17.4 ptt180 -162.87 149.55 10.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.559 0.219 . . . . 15.0 111.372 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.55 ' HD3' ' O ' ' A' ' 12' ' ' SER . 58.5 Cg_exo -50.5 148.5 15.01 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.298 2.665 . . . . 15.0 113.727 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -138.18 177.9 7.53 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.951 -1.022 . . . . 15.0 109.305 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.623 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -160.82 149.77 16.71 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 121.044 -0.263 . . . . 15.0 111.008 179.724 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.539 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 56.6 m-85 -74.78 146.14 42.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 15.0 110.051 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.58 158.95 16.14 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.582 -0.281 . . . . 15.0 110.829 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 p -90.32 -3.51 57.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.248 0.547 . . . . 15.0 110.705 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -76.51 126.56 86.04 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.382 -0.827 . . . . 15.0 110.657 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -62.07 -17.98 59.19 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.763 2.309 . . . . 15.0 113.197 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -94.56 1.41 55.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.321 -0.4 . . . . 15.0 111.828 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.33 119.04 6.11 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.952 -0.299 . . . . 15.0 110.637 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.479 HH21 ' HB3' ' B' ' 139' ' ' GLU . 34.3 mtm-85 -72.41 -43.88 63.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.445 -0.343 . . . . 15.0 110.821 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.539 ' HB3' ' CD1' ' A' ' 69' ' ' PHE . 51.9 p-90 -154.93 163.5 40.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.139 -0.482 . . . . 15.0 110.028 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -139.65 167.16 22.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.878 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -81.96 160.01 23.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.488 -0.778 . . . . 15.0 110.581 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.522 ' O ' ' HD2' ' A' ' 65' ' ' ARG . 7.4 t -119.4 143.26 47.55 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.351 -0.611 . . . . 15.0 109.351 178.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -103.47 108.91 20.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.99 0.424 . . . . 15.0 110.413 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.8 mt -127.98 129.49 23.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.828 -0.624 . . . . 15.0 109.895 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -65.35 126.65 16.66 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.661 2.24 . . . . 15.0 112.234 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.75 155.85 18.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.509 -0.314 . . . . 15.0 110.756 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 55.7 m -69.01 153.92 42.97 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.392 -0.367 . . . . 15.0 110.169 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.63 -26.08 63.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.195 0.521 . . . . 15.0 110.576 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.415 -0.802 . . . . 15.0 109.906 179.643 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 111.847 -0.501 . . . . 15.0 111.847 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' SER . . . . . 0.41 ' HB3' ' CG ' ' A' ' 37' ' ' PRO . 19.5 m -126.21 -177.87 4.12 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.915 -0.402 . . . . 15.0 109.915 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 5.2 p -72.58 101.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.778 0.799 . . . . 15.0 109.954 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -109.3 28.89 8.06 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.448 -0.796 . . . . 15.0 110.618 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -64.65 -42.09 95.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.71 -0.677 . . . . 15.0 110.725 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.455 ' HB3' ' HB2' ' B' ' 109' ' ' ASP . 2.6 mm? -96.55 62.98 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.879 -0.6 . . . . 15.0 110.386 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -43.44 98.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.008 -0.542 . . . . 15.0 111.554 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.65 -50.15 73.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.247 -0.433 . . . . 15.0 111.444 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . 0.455 ' HB2' ' HB3' ' B' ' 106' ' ' LEU . 14.2 m-20 -60.55 -43.7 96.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.255 -0.43 . . . . 15.0 111.159 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.13 -48.49 81.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.98 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -62.73 -47.57 82.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 15.0 111.322 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 92.2 mt -58.96 -42.03 88.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.519 -0.31 . . . . 15.0 111.316 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -70.14 -44.9 67.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.208 -0.451 . . . . 15.0 110.19 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -60.17 -47.29 86.57 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.708 -0.678 . . . . 15.0 111.104 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 32.4 tp -62.63 -45.41 92.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 15.0 110.525 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -62.99 -46.68 86.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.867 -0.606 . . . . 15.0 111.109 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -60.98 -38.52 86.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.229 -0.442 . . . . 15.0 110.691 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -66.12 -39.86 90.23 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.013 -0.539 . . . . 15.0 111.084 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.62 -32.24 62.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.032 0.444 . . . . 15.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -81.17 -18.44 46.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.825 -0.625 . . . . 15.0 111.561 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -51.4 -27.43 10.04 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.093 -0.503 . . . . 15.0 112.245 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -58.76 -63.09 1.42 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.545 -0.298 . . . . 15.0 111.367 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -148.9 -29.87 0.27 Allowed 'General case' 0 C--O 1.233 0.229 0 N-CA-C 111.777 0.288 . . . . 15.0 111.777 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.1 -1.47 2.18 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.395 -0.366 . . . . 15.0 111.835 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 14.7 tp -60.32 -23.84 64.52 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.052 0.454 . . . . 15.0 110.291 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.56 ' HA ' ' HE2' ' B' ' 129' ' ' LYS . 32.9 mm-40 -65.4 -43.93 89.09 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.761 -0.654 . . . . 15.0 109.674 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 62.6 ttp85 -81.15 -26.44 36.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.882 -0.599 . . . . 15.0 110.149 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.515 HD11 ' HH ' ' A' ' 42' ' ' TYR . 1.6 tm? -54.19 -50.5 66.92 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.604 -0.726 . . . . 15.0 111.074 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.56 ' HE2' ' HA ' ' B' ' 126' ' ' GLU . 23.4 pttt -67.76 -37.28 81.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.625 -0.261 . . . . 15.0 111.476 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 1.7 m -67.22 -38.63 85.57 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.387 0.613 . . . . 15.0 110.296 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . 0.418 ' HG2' ' CD2' ' B' ' 135' ' ' HIS . 17.5 tt0 -65.53 -32.67 74.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.619 -0.718 . . . . 15.0 110.002 179.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -43.38 71.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.684 -0.689 . . . . 15.0 110.965 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' HIS . . . . . 0.401 ' O ' ' HE3' ' B' ' 137' ' ' LYS . 51.2 m80 -57.6 -52.75 64.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.061 -0.518 . . . . 15.0 112.235 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.57 -29.03 62.17 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.052 0.39 . . . . 15.0 112.052 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' HIS . . . . . 0.418 ' CD2' ' HG2' ' B' ' 131' ' ' GLU . 1.6 m-70 -77.62 -38.7 47.47 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.335 0.494 . . . . 15.0 112.335 -179.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -62.75 -44.49 96.06 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.879 0.326 . . . . 15.0 111.879 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . 0.401 ' HE3' ' O ' ' B' ' 133' ' ' HIS . 17.3 ptpt -61.84 -25.58 67.61 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.997 0.427 . . . . 15.0 110.669 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -85.59 -42.53 14.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.133 0.492 . . . . 15.0 109.702 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . 0.479 ' HB3' HH21 ' A' ' 76' ' ' ARG . 0.9 OUTLIER -58.68 -40.31 83.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.326 -0.852 . . . . 15.0 110.355 179.615 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.96 -33.36 74.16 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.947 -0.569 . . . . 15.0 111.307 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -72.6 -38.43 67.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.216 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -71.55 -47.74 53.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.829 -0.623 . . . . 15.0 110.41 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . 0.438 ' HE3' ' HG ' ' B' ' 106' ' ' LEU . 36.8 mmtm -61.0 -23.21 65.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.92 -0.582 . . . . 15.0 112.55 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -57.39 -54.2 49.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.979 0.419 . . . . 15.0 110.997 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' B' ' 145' ' ' LEU . 3.7 mm? -89.8 -28.23 19.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.155 -0.475 . . . . 15.0 111.387 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -63.71 -53.96 43.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.701 -0.227 . . . . 15.0 111.586 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -68.96 -26.26 64.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.021 0.439 . . . . 15.0 111.31 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -76.48 -39.28 53.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.234 -0.439 . . . . 15.0 110.543 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 5.3 tp -75.67 -56.62 4.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.064 -0.516 . . . . 15.0 110.39 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -87.83 110.89 20.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.787 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -84.69 -46.06 11.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.129 -0.487 . . . . 15.0 110.166 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.97 -0.538 . . . . 15.0 109.662 178.934 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.999 0.428 . . . . 15.0 110.133 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.9 m -107.19 145.38 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 15.0 111.386 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.4 -30.89 71.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.756 -0.657 . . . . 15.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -96.31 107.73 20.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.061 -0.518 . . . . 15.0 111.236 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.41 143.86 44.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.068 -0.515 . . . . 15.0 110.089 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -141.92 115.66 9.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.681 0.277 . . . . 15.0 110.517 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -164.1 169.06 18.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.939 -0.573 . . . . 15.0 110.003 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.1 m -145.72 144.0 30.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.525 -0.307 . . . . 15.0 110.608 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.1 mmt -115.2 166.13 12.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.749 -0.205 . . . . 15.0 110.52 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -81.17 95.59 6.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.77 0.319 . . . . 15.0 111.171 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 47.56 -109.53 0.46 Allowed Glycine 0 CA--C 1.517 0.198 0 CA-C-N 115.456 -0.793 . . . . 15.0 114.07 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.7 m -71.63 -33.76 69.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.807 0.337 . . . . 15.0 111.24 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.19 61.38 4.28 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.549 -0.834 . . . . 15.0 112.024 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -63.76 -31.84 73.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.4 0.619 . . . . 15.0 110.336 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -96.02 28.39 3.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.285 -0.871 . . . . 15.0 111.029 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -67.16 109.18 2.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.951 0.405 . . . . 15.0 110.644 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -112.26 16.22 20.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.308 0.575 . . . . 15.0 110.141 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.47 145.66 48.92 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.655 -0.702 . . . . 15.0 111.762 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -83.53 105.76 14.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.001 0.429 . . . . 15.0 110.501 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.4 tt -155.88 133.42 2.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.769 -0.65 . . . . 15.0 109.899 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.99 35.82 4.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.209 0.528 . . . . 15.0 110.667 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -133.3 148.8 51.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.953 -0.567 . . . . 15.0 110.664 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.6 p -95.47 -175.87 3.6 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.855 -0.611 . . . . 15.0 110.421 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -64.89 -24.2 67.46 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.679 0.276 . . . . 15.0 111.309 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.01 3.34 51.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.971 0.415 . . . . 15.0 110.929 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.26 12.03 84.5 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.797 -0.716 . . . . 15.0 112.376 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.4 mt -73.03 153.74 40.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.854 0.359 . . . . 15.0 110.767 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.65 137.32 56.63 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.567 -0.742 . . . . 15.0 111.674 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 7.1 t -99.18 130.63 45.5 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.496 -0.774 . . . . 15.0 110.16 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -83.88 147.09 27.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.981 -0.554 . . . . 15.0 110.048 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.569 ' HB3' ' OG ' ' A' ' 34' ' ' SER . . . -72.28 148.88 45.0 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 120.904 0.383 . . . . 15.0 110.507 179.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -70.6 -19.96 62.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.162 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -103.51 12.01 35.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.897 -0.592 . . . . 15.0 111.514 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.569 ' OG ' ' HB3' ' A' ' 31' ' ' ALA . 57.7 m -75.08 142.84 43.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.745 0.307 . . . . 15.0 110.595 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -101.37 19.0 18.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.953 0.406 . . . . 15.0 110.962 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.61 144.27 97.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 N-CA-C 106.655 -1.609 . . . . 15.0 106.655 177.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -70.9 102.6 1.23 Allowed 'Trans proline' 0 N--CA 1.456 -0.684 0 CA-C-N 120.397 1.177 . . . . 15.0 112.663 -177.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -119.69 163.17 17.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.088 -1.415 . . . . 15.0 108.373 176.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.81 111.86 24.75 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.308 -0.997 . . . . 15.0 108.308 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -172.48 -176.46 1.55 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.049 0.452 . . . . 15.0 111.168 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -146.79 33.32 1.4 Allowed Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.577 -0.738 . . . . 15.0 111.513 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -113.03 105.13 13.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.067 0.46 . . . . 15.0 111.584 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.9 mm -106.11 134.75 19.62 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.067 -0.716 . . . . 15.0 109.067 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -51.42 -31.58 39.15 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.043 2.496 . . . . 15.0 113.741 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -75.44 -8.83 57.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.949 0.404 . . . . 15.0 111.621 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -92.95 -22.37 19.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 15.0 110.28 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -134.0 64.55 66.81 Favored Pre-proline 0 C--O 1.235 0.333 0 CA-C-N 116.125 -0.489 . . . . 15.0 110.666 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.44 -10.89 18.98 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.207 1.938 . . . . 15.0 112.223 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -85.19 -20.36 30.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 15.0 111.024 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -92.45 3.19 55.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.064 0.459 . . . . 15.0 110.632 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.6 t30 54.7 60.8 3.29 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 114.987 -1.006 . . . . 15.0 112.11 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.59 109.23 19.5 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.877 -0.786 . . . . 15.0 108.877 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -146.25 144.83 30.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.447 -0.342 . . . . 15.0 110.417 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt 55.08 -146.39 0.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.789 0.681 . . . . 15.0 112.198 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.512 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 29.9 p-10 -113.18 38.15 2.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.034 0.445 . . . . 15.0 111.722 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -90.94 141.68 28.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.242 -0.435 . . . . 15.0 110.354 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 10.6 t -59.14 129.63 43.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.319 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.405 HH12 ' HD2' ' A' ' 58' ' ' ARG . 3.1 mmp_? -136.57 169.86 17.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.146 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -142.58 85.22 10.48 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.263 0.554 . . . . 15.0 110.083 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -87.04 -3.89 7.95 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 122.439 2.092 . . . . 15.0 112.377 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.56 ' OD1' ' HB3' ' A' ' 63' ' ' ASP . 24.7 t70 -91.48 -24.81 19.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.251 -0.432 . . . . 15.0 110.779 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.0 mtm105 73.77 25.04 2.04 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.675 -0.693 . . . . 15.0 109.824 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.56 ' HB3' ' OD1' ' A' ' 61' ' ' ASP . 2.3 p-10 -75.65 -171.92 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.749 -0.66 . . . . 15.0 112.149 -179.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.6 mp -56.84 -36.31 69.86 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.403 1.26 . . . . 15.0 114.403 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -157.13 148.53 16.91 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 118.648 0.658 . . . . 15.0 112.244 -178.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -58.67 148.55 81.81 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.966 2.444 . . . . 15.0 112.608 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 18.1 p-90 -144.17 176.53 9.25 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.433 -0.803 . . . . 15.0 110.05 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.459 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -159.77 155.86 26.61 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.208 -0.451 . . . . 15.0 110.191 179.364 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -77.81 135.26 37.93 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.307 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.81 149.45 21.83 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.22 -16.56 45.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.238 -0.437 . . . . 15.0 111.235 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.412 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -64.35 126.93 91.5 Favored Pre-proline 0 C--N 1.332 -0.161 0 CA-C-N 116.024 -0.535 . . . . 15.0 110.694 -179.559 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 35.1 Cg_exo -59.77 -11.64 15.42 Favored 'Trans proline' 0 CA--C 1.535 0.561 0 C-N-CA 123.191 2.594 . . . . 15.0 114.921 -178.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -102.25 -5.07 24.73 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.138 0.421 . . . . 15.0 112.138 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -133.09 132.49 41.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.137 0.494 . . . . 15.0 111.33 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.4 HH12 ' HD3' ' A' ' 76' ' ' ARG . 0.9 OUTLIER -84.19 -58.81 2.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.214 0.53 . . . . 15.0 110.083 179.752 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 24.1 p-90 -148.67 145.11 27.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.741 -0.663 . . . . 15.0 109.768 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -128.07 148.46 50.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.316 -0.402 . . . . 15.0 110.247 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -79.12 159.49 27.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.05 -0.523 . . . . 15.0 110.744 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.1 t -121.67 133.42 54.96 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.217 -0.66 . . . . 15.0 109.217 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -96.0 113.86 25.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.825 0.345 . . . . 15.0 110.526 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.0 mt -119.85 129.75 25.19 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.907 -0.588 . . . . 15.0 109.736 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -49.43 123.39 10.23 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.113 2.542 . . . . 15.0 112.809 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -104.98 167.35 9.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.822 -0.626 . . . . 15.0 110.624 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 10.4 m -82.71 157.72 23.19 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.733 -0.469 . . . . 15.0 109.733 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.5 -41.96 68.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.873 0.368 . . . . 15.0 110.361 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.423 -0.799 . . . . 15.0 110.411 179.65 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.828 -0.509 . . . . 15.0 111.828 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.0 t -144.46 -150.66 0.33 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.481 -0.563 . . . . 15.0 109.481 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 4.2 p -74.03 76.92 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 122.414 1.102 . . . . 15.0 110.109 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.28 -8.28 48.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.153 -0.93 . . . . 15.0 111.2 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -60.5 -38.59 84.82 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.164 0.507 . . . . 15.0 110.257 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -85.5 73.5 10.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.688 -0.687 . . . . 15.0 109.269 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.61 -65.72 0.96 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.075 -0.511 . . . . 15.0 111.838 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.61 -49.43 77.53 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.605 0.594 . . . . 15.0 112.605 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -61.68 -45.94 91.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.505 -0.316 . . . . 15.0 111.624 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.37 90.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.577 -0.283 . . . . 15.0 110.98 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -62.0 -53.53 54.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.042 -0.527 . . . . 15.0 110.523 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.66 -43.09 99.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.09 -0.505 . . . . 15.0 111.067 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -63.17 -46.31 87.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 15.0 111.078 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -66.23 -44.51 83.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.502 -0.317 . . . . 15.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 16.9 tp -55.85 -51.22 68.27 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.74 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -65.44 -41.34 93.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.898 -0.592 . . . . 15.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -61.77 -45.66 92.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.453 -0.339 . . . . 15.0 110.812 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -58.89 -38.05 77.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.969 0.414 . . . . 15.0 111.481 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.84 -41.04 53.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.987 0.422 . . . . 15.0 110.577 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.33 -24.95 63.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.913 -0.585 . . . . 15.0 111.843 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -56.46 -17.49 8.36 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.111 0.411 . . . . 15.0 112.111 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -60.84 -65.76 0.64 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 120.711 0.291 . . . . 15.0 110.418 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -145.1 -18.53 0.5 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.708 0.289 . . . . 15.0 111.776 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -84.0 11.95 7.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.699 -0.228 . . . . 15.0 111.116 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 23.9 tp -59.84 -32.8 71.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.877 0.37 . . . . 15.0 111.126 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -65.37 -40.05 93.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 15.0 110.462 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 -82.15 -28.55 32.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.268 -0.424 . . . . 15.0 110.445 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -58.87 -50.38 74.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.911 -0.586 . . . . 15.0 110.718 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' B' ' 130' ' ' SER . 1.0 OUTLIER -62.31 -33.8 75.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 15.0 110.974 -179.057 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' SER . . . . . 0.43 ' N ' ' HG2' ' B' ' 129' ' ' LYS . 52.2 m -77.22 -34.57 56.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.931 0.396 . . . . 15.0 110.592 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -46.87 82.26 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.288 -0.634 . . . . 15.0 109.288 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -64.02 -32.81 74.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.426 -0.806 . . . . 15.0 110.364 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.55 -43.3 93.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.062 -0.517 . . . . 15.0 110.702 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . 0.523 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 30.3 t70 -82.29 -27.06 32.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.097 0.475 . . . . 15.0 111.294 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -74.66 -41.99 59.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.091 -0.504 . . . . 15.0 111.311 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.41 -36.08 82.98 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.145 0.424 . . . . 15.0 112.145 -178.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 7.3 ptpt -65.53 -28.08 68.92 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.109 0.481 . . . . 15.0 110.502 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -85.75 -38.79 17.87 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 108.942 -0.762 . . . . 15.0 108.942 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -33.28 66.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.622 -1.172 . . . . 15.0 110.801 179.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.17 -50.41 67.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 15.0 111.411 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.07 -40.86 67.98 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.331 -0.395 . . . . 15.0 110.648 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -59.52 -46.41 88.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.963 0.411 . . . . 15.0 110.368 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -66.05 -30.52 71.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.013 -0.54 . . . . 15.0 111.014 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' B' ' 148' ' ' LYS . . . -58.33 -38.92 78.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.57 -0.287 . . . . 15.0 111.043 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -90.86 -43.68 9.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.888 0.375 . . . . 15.0 111.161 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -61.21 -55.07 36.38 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.47 0.544 . . . . 15.0 112.47 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.1 -22.0 65.83 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.97 0.414 . . . . 15.0 111.572 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' B' ' 144' ' ' ALA . 76.7 tttt -79.7 -36.73 37.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.219 -0.446 . . . . 15.0 110.961 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 50.1 tp -81.32 -49.2 11.0 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.221 -0.445 . . . . 15.0 110.749 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -85.77 113.9 22.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.129 -0.487 . . . . 15.0 110.023 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -90.17 -9.8 46.84 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.155 -0.475 . . . . 15.0 110.525 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.815 -0.612 . . . . 15.0 109.94 179.246 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 120.695 0.283 . . . . 15.0 110.935 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.4 m -93.9 174.74 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.662 0.267 . . . . 15.0 111.2 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -83.59 -55.09 4.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.857 0.36 . . . . 15.0 110.156 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -72.34 99.88 2.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.869 -0.605 . . . . 15.0 110.592 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 m -118.13 143.56 46.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.807 -0.633 . . . . 15.0 109.833 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -137.11 122.37 19.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.406 -0.361 . . . . 15.0 110.441 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -160.43 157.96 28.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.322 -0.399 . . . . 15.0 110.83 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.3 m -134.99 154.33 51.77 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.102 -0.499 . . . . 15.0 109.794 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 19.6 mmt -114.56 163.11 15.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.654 0.264 . . . . 15.0 110.71 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -85.18 96.96 9.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.099 -0.501 . . . . 15.0 111.58 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.64 -108.74 0.5 Allowed Glycine 0 C--N 1.331 0.286 0 CA-C-N 115.401 -0.818 . . . . 15.0 114.293 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.7 t -72.3 -45.12 61.38 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 122.459 0.304 . . . . 15.0 111.215 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.6 50.17 4.09 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.326 -0.94 . . . . 15.0 111.744 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -66.03 -36.8 84.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.356 0.598 . . . . 15.0 110.052 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -95.82 28.09 3.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.332 -0.849 . . . . 15.0 111.241 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -70.59 108.05 4.17 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.997 0.427 . . . . 15.0 110.197 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -107.66 31.97 5.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.498 0.666 . . . . 15.0 109.297 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.13 160.9 46.74 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.454 -0.794 . . . . 15.0 112.351 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -92.67 111.06 22.52 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.889 0.375 . . . . 15.0 110.467 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.1 tt -162.05 132.71 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.043 -0.526 . . . . 15.0 109.844 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.96 22.74 4.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.249 -0.432 . . . . 15.0 110.991 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -132.05 135.04 46.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.331 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.403 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 21.8 p -76.95 -175.33 3.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.3 -0.409 . . . . 15.0 111.13 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -62.13 -29.14 70.13 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.724 0.297 . . . . 15.0 111.26 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.36 1.87 53.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.821 0.343 . . . . 15.0 111.014 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.01 15.14 81.53 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.834 -0.698 . . . . 15.0 112.911 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 42.3 mt -78.17 149.79 33.68 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.019 -0.363 . . . . 15.0 110.019 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -74.82 130.9 40.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.159 0.504 . . . . 15.0 111.451 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.69 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 17.3 t -82.92 140.36 32.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.681 -0.691 . . . . 15.0 111.024 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -85.6 145.17 27.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.639 -0.71 . . . . 15.0 109.281 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.54 137.67 52.64 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.097 -0.334 . . . . 15.0 110.097 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -63.27 -23.02 67.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.049 0.452 . . . . 15.0 110.663 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -102.02 6.96 41.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.065 -0.516 . . . . 15.0 111.472 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.8 t -86.19 138.93 31.51 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.9 -0.407 . . . . 15.0 109.9 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -94.0 36.89 1.1 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.023 0.439 . . . . 15.0 111.785 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.1 140.24 95.71 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 105.387 -2.079 . . . . 15.0 105.387 176.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -73.9 99.16 1.13 Allowed 'Trans proline' 0 N--CA 1.452 -0.946 0 CA-C-N 120.732 1.297 . . . . 15.0 113.511 -176.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.35 164.24 18.31 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 113.304 -1.771 . . . . 15.0 108.144 175.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.27 110.93 23.02 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.883 -1.154 . . . . 15.0 107.883 176.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -172.32 -176.29 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.724 0.297 . . . . 15.0 111.118 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -147.6 31.02 1.39 Allowed Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.467 -0.653 . . . . 15.0 111.467 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -94.31 114.52 26.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.937 0.398 . . . . 15.0 110.849 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.416 ' HB ' ' HD3' ' A' ' 46' ' ' LYS . 49.5 mm -116.19 131.76 23.62 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.06 -0.718 . . . . 15.0 109.06 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -52.09 -37.55 68.99 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.735 2.29 . . . . 15.0 112.832 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.4 ' H ' HG21 ' A' ' 43' ' ' ILE . 23.5 m -72.51 -14.48 61.66 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.349 -0.387 . . . . 15.0 111.458 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.416 ' HD3' ' HB ' ' A' ' 43' ' ' ILE . 50.5 mtpt -86.21 -23.15 26.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 15.0 110.683 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -132.16 61.54 58.27 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 116.241 -0.436 . . . . 15.0 111.13 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.32 -13.59 20.72 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.129 1.886 . . . . 15.0 111.665 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -82.08 -11.16 58.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.494 -0.775 . . . . 15.0 111.023 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -108.3 9.23 27.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.231 0.539 . . . . 15.0 110.351 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.8 t30 50.9 59.53 4.54 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 114.946 -1.025 . . . . 15.0 112.532 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.6 mp -81.34 111.01 17.32 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.148 -0.686 . . . . 15.0 109.148 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -141.55 133.78 27.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.841 0.353 . . . . 15.0 111.465 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 51.99 -134.19 1.68 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.293 -0.867 . . . . 15.0 111.827 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -115.32 40.92 2.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.426 0.631 . . . . 15.0 110.873 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -91.85 136.93 32.78 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.835 -0.621 . . . . 15.0 110.353 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.429 ' SG ' ' HB2' ' A' ' 66' ' ' PRO . 45.0 t -63.15 132.42 51.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.921 -0.581 . . . . 15.0 111.048 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -139.72 163.97 31.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.509 -0.769 . . . . 15.0 109.93 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -124.68 82.55 59.63 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 108.441 -0.948 . . . . 15.0 108.441 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.47 -10.75 14.59 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.48 2.12 . . . . 15.0 113.883 -177.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.477 ' OD2' ' HB3' ' B' ' 129' ' ' LYS . 8.0 t70 -110.18 0.97 18.44 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.087 -0.645 . . . . 15.0 112.365 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 56.57 37.51 28.88 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.147 -0.479 . . . . 15.0 111.109 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -80.9 -170.09 2.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.301 -0.409 . . . . 15.0 111.014 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 89.0 mt -50.61 -42.44 56.01 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.537 0.94 . . . . 15.0 113.537 -178.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.44 ' HD3' ' O ' ' A' ' 80' ' ' CYS . 12.0 ptp180 -157.89 148.92 16.41 Favored Pre-proline 0 C--N 1.33 -0.244 0 C-N-CA 120.629 -0.428 . . . . 15.0 111.885 -178.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.429 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 13.9 Cg_endo -57.77 146.06 87.39 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.819 2.346 . . . . 15.0 112.574 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 21.7 p-90 -146.04 -176.04 4.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.472 -0.786 . . . . 15.0 109.618 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.69 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 1.1 p -166.93 155.02 9.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.509 -0.314 . . . . 15.0 110.657 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -73.26 143.63 46.98 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.803 -0.443 . . . . 15.0 109.803 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.93 176.87 6.09 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.489 -0.323 . . . . 15.0 111.598 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.24 5.17 19.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.595 0.712 . . . . 15.0 109.735 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.71 130.25 53.81 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 114.844 -1.071 . . . . 15.0 110.341 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -65.22 -13.43 39.72 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.432 2.088 . . . . 15.0 112.734 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -108.37 1.55 21.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.407 -0.361 . . . . 15.0 111.681 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -132.31 114.9 14.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.683 0.278 . . . . 15.0 110.751 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -68.67 -63.73 1.0 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.331 0.586 . . . . 15.0 110.098 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 45.1 p-90 -156.24 146.15 21.19 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.641 -0.709 . . . . 15.0 109.443 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -127.1 159.88 32.86 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.866 0.365 . . . . 15.0 110.641 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -82.67 162.33 21.86 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.723 -0.671 . . . . 15.0 110.656 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.44 ' O ' ' HD3' ' A' ' 65' ' ' ARG . 79.5 m -117.79 149.38 40.89 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.824 -0.806 . . . . 15.0 108.824 178.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -110.89 110.5 21.12 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.986 0.422 . . . . 15.0 111.488 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.2 mt -127.11 130.74 23.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.096 -0.502 . . . . 15.0 109.97 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.14 126.04 19.16 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 122.857 2.372 . . . . 15.0 113.001 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.06 161.61 14.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.095 -0.502 . . . . 15.0 110.017 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 59.7 m -66.13 158.43 28.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.613 -0.267 . . . . 15.0 110.582 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.11 86.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.448 -0.342 . . . . 15.0 111.24 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.595 -0.717 . . . . 15.0 110.642 179.659 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 111.744 -0.543 . . . . 15.0 111.744 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 22.4 m -85.44 -176.25 6.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.609 0.242 . . . . 15.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 3.3 p -67.26 102.46 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-O 121.743 0.783 . . . . 15.0 111.274 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -121.19 23.64 10.43 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.503 -0.772 . . . . 15.0 109.814 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -59.25 -55.8 30.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.375 -0.83 . . . . 15.0 110.446 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -100.76 64.7 1.1 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.801 -0.636 . . . . 15.0 109.355 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -37.91 89.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.461 -0.79 . . . . 15.0 111.714 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.69 -39.12 93.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.108 0.48 . . . . 15.0 110.765 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.62 -36.74 84.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.724 -0.671 . . . . 15.0 110.606 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.42 -42.02 59.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.752 -0.658 . . . . 15.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.56 -51.03 71.6 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.017 -0.538 . . . . 15.0 111.059 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 86.4 mt -55.09 -49.15 72.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 15.0 111.363 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -68.53 -34.59 76.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.148 -0.478 . . . . 15.0 111.816 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -64.61 -49.84 69.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.692 0.282 . . . . 15.0 110.273 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 21.1 tp -62.48 -44.47 96.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 15.0 110.502 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -60.44 -46.29 90.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.776 -0.647 . . . . 15.0 110.707 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -63.34 -43.58 97.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.438 -0.801 . . . . 15.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -56.48 -48.15 77.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.229 -0.441 . . . . 15.0 111.345 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.58 -36.48 82.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.028 -0.533 . . . . 15.0 111.346 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.65 -30.68 63.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.226 -0.443 . . . . 15.0 111.98 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -54.26 -20.34 6.88 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.801 0.667 . . . . 15.0 112.801 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -69.69 -42.19 74.42 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.173 -0.211 . . . . 15.0 111.28 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . 0.445 ' C ' ' H ' ' B' ' 125' ' ' LEU . . . -156.79 -43.54 0.07 Allowed 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.055 0.391 . . . . 15.0 112.055 -178.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -72.97 20.46 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.374 0.509 . . . . 15.0 112.374 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.445 ' H ' ' C ' ' B' ' 123' ' ' ALA . 30.5 tp -65.65 -31.96 73.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.851 0.358 . . . . 15.0 110.803 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -68.56 -44.34 74.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.238 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 55.2 ttp85 -71.4 -34.78 70.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.265 -0.425 . . . . 15.0 110.292 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.38 -40.32 82.03 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.45 0.643 . . . . 15.0 109.434 178.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.477 ' HB3' ' OD2' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -60.49 -48.6 81.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.192 -0.913 . . . . 15.0 110.456 179.236 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m -67.74 -34.04 76.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.791 -0.64 . . . . 15.0 111.224 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.63 -44.66 81.41 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.791 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -37.67 73.46 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 110.007 -0.368 . . . . 15.0 110.007 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -55.42 -45.97 76.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.571 -0.74 . . . . 15.0 110.891 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -85.13 -27.07 26.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.043 -0.526 . . . . 15.0 111.977 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -77.14 -43.79 32.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.519 -0.309 . . . . 15.0 111.756 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -40.65 97.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.501 -0.318 . . . . 15.0 111.303 -178.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -64.79 -24.26 67.5 Favored 'General case' 0 C--O 1.227 -0.124 0 CA-C-O 120.949 0.404 . . . . 15.0 110.233 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -83.56 -35.18 24.94 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.121 -0.696 . . . . 15.0 109.121 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -66.66 -28.94 68.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.097 -0.956 . . . . 15.0 110.989 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -52.11 -43.57 64.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.144 -0.48 . . . . 15.0 111.819 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.07 -43.76 33.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 15.0 111.204 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 52.2 ttp85 -62.91 -46.81 86.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.428 -0.351 . . . . 15.0 111.498 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -62.77 -31.19 72.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.584 -0.28 . . . . 15.0 111.681 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -56.74 -43.9 81.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.415 -0.357 . . . . 15.0 111.641 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -89.72 -34.21 16.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.779 0.323 . . . . 15.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.06 -52.09 66.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.01 -0.541 . . . . 15.0 111.581 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -69.92 -24.54 63.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.3 -0.409 . . . . 15.0 111.183 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -73.29 -40.31 64.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.149 -0.478 . . . . 15.0 110.624 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 20.8 tp -78.34 -56.18 4.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.355 -0.384 . . . . 15.0 110.771 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -74.58 116.35 15.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.13 -0.322 . . . . 15.0 110.13 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -96.82 -12.01 24.15 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.033 -0.267 . . . . 15.0 111.086 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.706 -0.664 . . . . 15.0 110.026 179.553 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.235 0.319 0 CA-C-O 120.577 0.227 . . . . 15.0 110.453 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -133.59 101.53 5.16 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.368 -0.378 . . . . 15.0 110.971 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -153.34 173.35 15.72 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.905 -0.405 . . . . 15.0 109.905 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.2 m -144.31 155.76 43.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.365 -0.379 . . . . 15.0 110.547 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 19.8 mmt -114.78 161.7 17.84 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.837 0.351 . . . . 15.0 111.083 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -88.14 97.8 11.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.881 -0.599 . . . . 15.0 111.376 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.32 -116.89 3.87 Favored Glycine 0 C--N 1.331 0.299 0 CA-C-N 115.58 -0.736 . . . . 15.0 113.871 178.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.527 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -66.4 -40.56 89.71 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.998 0.428 . . . . 15.0 111.011 -179.515 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.53 53.57 4.31 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.685 -0.769 . . . . 15.0 112.594 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -76.87 -18.59 58.24 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.312 -0.625 . . . . 15.0 109.312 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -101.02 22.23 12.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.123 -0.944 . . . . 15.0 109.994 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -70.75 118.82 14.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.81 -0.632 . . . . 15.0 111.088 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -117.89 10.62 13.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.939 -0.573 . . . . 15.0 109.789 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.53 149.83 42.61 Favored Glycine 0 C--O 1.237 0.309 0 CA-C-N 115.686 -0.688 . . . . 15.0 113.034 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -90.45 113.3 25.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.265 0.555 . . . . 15.0 111.556 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.415 HG12 ' H ' ' A' ' 22' ' ' LYS . 17.2 tt -163.9 131.63 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.407 -0.815 . . . . 15.0 109.311 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.4 p -122.87 31.29 6.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.909 0.385 . . . . 15.0 111.247 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.415 ' H ' HG12 ' A' ' 20' ' ' ILE . 46.7 mtmt -133.6 147.16 51.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.263 -0.426 . . . . 15.0 110.857 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.6 p -83.65 -177.94 6.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.994 -0.548 . . . . 15.0 110.502 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -73.84 -13.61 60.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.245 0.545 . . . . 15.0 109.899 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.71 3.88 47.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.588 -0.733 . . . . 15.0 110.637 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.8 23.92 71.09 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.662 -0.699 . . . . 15.0 112.775 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.8 mt -90.02 150.39 22.13 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.133 -0.321 . . . . 15.0 110.133 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -76.48 134.18 39.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.585 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.687 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 33.0 t -86.7 142.16 28.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.22 0.533 . . . . 15.0 111.243 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -86.76 146.43 26.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.505 -0.771 . . . . 15.0 109.657 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.705 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -68.87 139.31 55.16 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.004 -0.369 . . . . 15.0 110.004 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -65.19 -29.68 70.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.418 -0.356 . . . . 15.0 111.395 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -99.71 13.88 32.09 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.549 -0.296 . . . . 15.0 111.383 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.705 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -81.0 178.78 8.21 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.901 -0.407 . . . . 15.0 109.901 179.108 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -141.9 38.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.451 -0.5 . . . . 15.0 112.199 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.55 158.81 81.28 Favored Pre-proline 0 C--O 1.236 0.374 0 N-CA-C 105.485 -2.043 . . . . 15.0 105.485 175.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -72.96 96.39 0.86 Allowed 'Trans proline' 0 N--CA 1.455 -0.774 0 CA-C-N 122.026 1.759 . . . . 15.0 112.255 -177.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.28 162.44 24.71 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 113.676 -1.602 . . . . 15.0 110.185 177.107 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.69 112.16 25.02 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.182 -1.414 . . . . 15.0 107.182 174.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 -170.11 165.69 9.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.187 0.518 . . . . 15.0 111.91 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -137.29 21.6 3.27 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 110.867 -0.893 . . . . 15.0 110.867 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -88.53 78.31 7.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.467 -0.367 . . . . 15.0 110.957 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.9 mm -84.46 127.96 63.66 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.827 -0.435 . . . . 15.0 109.827 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.17 -33.03 52.51 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.963 2.442 . . . . 15.0 113.146 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.03 -20.09 64.96 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.416 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -83.36 -23.02 32.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 15.0 110.568 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -133.22 63.86 67.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 15.0 110.81 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.79 -14.97 26.93 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 121.861 1.707 . . . . 15.0 111.363 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -75.38 -21.91 57.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.313 -0.858 . . . . 15.0 111.233 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -96.65 6.17 49.24 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.947 -0.301 . . . . 15.0 111.535 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.6 t30 51.56 61.92 2.98 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.842 0.682 . . . . 15.0 112.842 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.6 mp -84.79 109.82 18.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.521 -0.918 . . . . 15.0 108.521 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -141.33 146.67 36.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.56 0.219 . . . . 15.0 110.947 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt 53.54 -134.74 1.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.951 0.782 . . . . 15.0 111.371 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -124.87 39.55 3.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.363 0.602 . . . . 15.0 110.333 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -91.68 141.73 28.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.014 -0.539 . . . . 15.0 110.382 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.5 t -59.52 131.02 49.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 15.0 111.085 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -138.75 168.22 20.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.896 -0.593 . . . . 15.0 109.794 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -138.69 88.35 14.14 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-O 120.895 0.379 . . . . 15.0 110.378 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -85.05 -5.52 9.58 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.497 2.131 . . . . 15.0 112.792 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' B' ' 129' ' ' LYS . 33.3 t70 -96.98 -24.13 15.96 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.157 -0.217 . . . . 15.0 111.397 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.4 mtm180 70.57 34.25 2.19 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.411 0.624 . . . . 15.0 109.93 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -80.91 -167.99 1.62 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.197 -0.91 . . . . 15.0 110.893 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.1 mt -47.68 -48.46 29.13 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.215 0.821 . . . . 15.0 113.215 -178.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -158.89 153.55 20.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 C-N-CA 120.687 -0.405 . . . . 15.0 111.29 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.527 ' HD3' ' O ' ' A' ' 12' ' ' SER . 51.9 Cg_exo -54.45 146.22 53.37 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.074 2.516 . . . . 15.0 113.563 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 -138.39 177.81 7.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.106 -0.952 . . . . 15.0 109.402 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.687 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 4.7 p -163.25 154.91 17.45 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.477 -0.329 . . . . 15.0 110.771 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -78.71 145.54 34.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.211 -0.45 . . . . 15.0 109.952 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 p -100.42 154.68 18.32 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.878 0.37 . . . . 15.0 111.621 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.49 8.15 29.46 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.196 0.522 . . . . 15.0 110.792 178.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -103.94 122.95 42.66 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.035 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -60.46 -16.64 43.16 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.987 2.458 . . . . 15.0 113.603 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.38 -17.89 59.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.564 0.221 . . . . 15.0 110.752 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -130.5 152.82 49.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.878 0.371 . . . . 15.0 110.899 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -99.02 -63.36 1.13 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.228 0.537 . . . . 15.0 110.042 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 32.4 p-90 -147.39 144.09 28.44 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.57 -0.741 . . . . 15.0 109.169 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -130.8 155.02 47.39 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.772 0.32 . . . . 15.0 110.363 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -82.95 161.88 21.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.828 -0.624 . . . . 15.0 110.946 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 5.9 t -117.32 139.46 50.81 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.955 -0.758 . . . . 15.0 108.955 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -100.91 110.94 23.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.245 -0.434 . . . . 15.0 111.125 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.98 135.32 26.62 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.883 -0.598 . . . . 15.0 110.017 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -58.88 123.4 13.43 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.648 2.232 . . . . 15.0 112.145 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -104.83 156.05 18.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.414 -0.357 . . . . 15.0 110.61 -179.59 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 66.7 m -67.62 151.07 47.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.216 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.54 -49.13 70.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.133 0.492 . . . . 15.0 109.803 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.693 -0.67 . . . . 15.0 109.724 179.196 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.849 0 N-CA-C 112.007 -0.437 . . . . 15.0 112.007 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 2.9 t -136.58 -167.58 2.09 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.698 -0.482 . . . . 15.0 109.698 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 3.8 p -82.72 91.35 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.928 0.871 . . . . 15.0 109.887 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.33 22.32 14.35 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.558 -0.746 . . . . 15.0 110.594 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -63.35 -40.15 96.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.794 -0.639 . . . . 15.0 111.261 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.411 ' HG ' ' HE3' ' B' ' 143' ' ' LYS . 2.2 mm? -102.54 49.64 0.84 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.078 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -46.07 85.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.698 -0.683 . . . . 15.0 112.378 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.64 -45.76 74.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 15.0 111.42 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.7 -48.41 80.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.935 -0.575 . . . . 15.0 111.029 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.38 98.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.932 -0.576 . . . . 15.0 111.18 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -61.23 -45.73 93.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.472 -0.331 . . . . 15.0 110.975 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 44.6 mt -60.13 -47.88 84.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.616 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -65.58 -38.7 90.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.941 -0.572 . . . . 15.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -65.32 -47.9 74.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.46 -0.336 . . . . 15.0 110.955 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 43.8 tp -57.91 -39.59 78.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 15.0 110.191 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -68.75 -43.99 74.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.811 -0.631 . . . . 15.0 110.178 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 117' ' ' ASN . . . . . 0.471 ' O ' ' HB2' ' B' ' 121' ' ' GLU . 1.8 t30 -62.18 -43.53 98.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.851 -0.613 . . . . 15.0 110.741 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.48 -42.96 98.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.985 0.421 . . . . 15.0 111.204 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.2 -44.12 76.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.386 -0.37 . . . . 15.0 111.18 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.37 -19.75 57.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.197 -0.456 . . . . 15.0 112.206 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 121' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' B' ' 117' ' ' ASN . 19.6 tt0 -57.43 -20.93 33.35 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.244 0.461 . . . . 15.0 112.244 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -58.42 -67.54 0.34 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.164 -0.471 . . . . 15.0 111.423 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -136.53 -26.86 1.08 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.99 0.424 . . . . 15.0 111.395 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -81.6 22.94 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.129 -0.487 . . . . 15.0 111.451 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 25.6 tp -64.51 -31.83 73.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.986 0.422 . . . . 15.0 110.425 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -66.12 -41.4 90.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.902 -0.59 . . . . 15.0 109.61 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 37.2 ttp85 -72.12 -41.23 67.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.645 -0.707 . . . . 15.0 110.231 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -57.61 -48.86 78.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.601 -0.727 . . . . 15.0 111.099 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.434 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -61.65 -32.28 72.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.963 -0.562 . . . . 15.0 111.051 -178.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 29.4 m -79.91 -41.04 26.92 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.853 0.359 . . . . 15.0 110.866 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -61.52 -49.31 77.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 15.0 110.477 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 5.0 tmt_? -57.48 -36.32 71.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.462 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -61.29 -41.37 96.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.949 -0.569 . . . . 15.0 111.195 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 134' ' ' ASP . . . . . 0.557 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 18.4 t70 -83.81 -23.28 31.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.831 0.348 . . . . 15.0 111.558 -179.022 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -82.94 -36.61 25.07 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 111.974 0.361 . . . . 15.0 111.974 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.76 -29.59 70.11 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.75 0.278 . . . . 15.0 111.75 -178.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 137' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 12.7 ptpt -69.37 -25.15 64.03 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.359 -0.608 . . . . 15.0 109.359 178.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -83.96 -28.04 28.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.285 -0.87 . . . . 15.0 108.725 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -61.97 -33.81 74.99 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.4 -0.818 . . . . 15.0 110.299 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.04 -26.43 68.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 15.0 110.439 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -83.05 -41.39 18.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.876 -0.602 . . . . 15.0 110.215 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' B' ' 146' ' ' GLU . 40.7 ttp85 -75.31 -55.07 6.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.765 -0.652 . . . . 15.0 111.582 -179.04 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 143' ' ' LYS . . . . . 0.411 ' HE3' ' HG ' ' B' ' 106' ' ' LEU . 43.4 mmtm -61.0 -21.39 63.52 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.129 0.418 . . . . 15.0 112.129 -178.456 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -57.47 -51.95 67.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.932 0.396 . . . . 15.0 110.418 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -90.02 -32.57 16.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.127 -0.488 . . . . 15.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 146' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' B' ' 142' ' ' ARG . 7.5 tt0 -61.03 -55.13 36.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.002 -0.544 . . . . 15.0 111.903 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.73 -27.47 67.64 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.813 0.34 . . . . 15.0 111.188 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -73.89 -41.1 62.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.922 -0.581 . . . . 15.0 110.576 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 15.9 tp -75.4 -45.69 37.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.136 -0.483 . . . . 15.0 110.728 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -76.32 107.66 8.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.973 -0.558 . . . . 15.0 111.096 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -76.1 -36.27 58.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.895 0.378 . . . . 15.0 110.171 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.892 -0.575 . . . . 15.0 109.812 179.639 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.842 0.354 . . . . 15.0 111.143 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -127.91 106.52 9.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.204 -0.453 . . . . 15.0 109.998 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -150.7 161.09 43.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.825 0.345 . . . . 15.0 111.053 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.3 m -147.24 138.24 23.74 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.391 -0.596 . . . . 15.0 109.391 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 17.1 mmt -113.8 165.27 12.73 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 122.331 -0.23 . . . . 15.0 110.838 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -85.74 97.45 10.16 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.498 0.555 . . . . 15.0 112.498 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.05 -113.4 1.63 Allowed Glycine 0 C--O 1.23 -0.137 0 CA-C-N 115.036 -0.984 . . . . 15.0 114.985 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.608 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 23.7 m -76.44 -9.44 58.65 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.784 0.661 . . . . 15.0 112.784 -177.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.23 56.43 14.81 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 121.053 -0.594 . . . . 15.0 112.326 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -65.13 -24.72 67.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.192 0.52 . . . . 15.0 110.357 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.39 27.37 9.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.535 -0.757 . . . . 15.0 110.085 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -75.65 113.46 13.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.55 -0.75 . . . . 15.0 110.401 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -112.47 32.53 5.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.13 -0.487 . . . . 15.0 110.65 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.12 146.51 41.31 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.765 -0.731 . . . . 15.0 111.634 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -85.49 105.72 16.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.218 0.532 . . . . 15.0 111.002 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.0 tt -156.2 130.8 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.462 -0.79 . . . . 15.0 109.321 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.6 37.25 4.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.914 0.388 . . . . 15.0 111.46 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -140.54 153.93 46.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.264 -0.426 . . . . 15.0 111.215 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.7 p -95.83 -177.43 4.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.966 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -68.48 -22.72 64.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.883 0.373 . . . . 15.0 110.792 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.02 3.55 51.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.225 -0.443 . . . . 15.0 110.985 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.63 25.42 72.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.871 -0.68 . . . . 15.0 112.754 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.61 158.02 16.19 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.313 -0.254 . . . . 15.0 110.313 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -81.33 131.64 35.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.065 0.46 . . . . 15.0 111.622 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.519 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 13.7 t -82.5 142.24 32.02 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.527 -0.761 . . . . 15.0 110.874 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.404 ' HG2' ' N ' ' A' ' 31' ' ' ALA . 5.0 tt0 -94.11 148.8 21.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.869 -0.605 . . . . 15.0 109.998 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.572 ' HB3' ' OG ' ' A' ' 34' ' ' SER . . . -67.34 144.22 55.96 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 110.33 -0.248 . . . . 15.0 110.33 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 60.7 m95 -67.54 -26.41 66.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.21 -0.45 . . . . 15.0 111.409 -178.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -103.21 11.83 36.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.673 -0.239 . . . . 15.0 111.444 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.572 ' OG ' ' HB3' ' A' ' 31' ' ' ALA . 3.0 m -67.59 153.9 42.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 15.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -104.53 19.67 19.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.41 -0.359 . . . . 15.0 111.45 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.36 143.95 97.67 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 106.507 -1.664 . . . . 15.0 106.507 176.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.81 100.7 1.22 Allowed 'Trans proline' 0 N--CA 1.457 -0.638 0 CA-C-N 120.101 1.072 . . . . 15.0 112.812 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.422 ' NE2' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -121.25 162.63 19.9 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 113.928 -1.487 . . . . 15.0 109.209 176.923 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.69 110.47 22.81 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 107.312 -1.366 . . . . 15.0 107.312 175.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -172.08 174.38 4.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.193 0.521 . . . . 15.0 111.414 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.4 ' HA3' ' OD1' ' B' ' 117' ' ' ASN . . . -138.01 21.29 3.17 Favored Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.41 -0.814 . . . . 15.0 111.114 178.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -86.61 111.47 20.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.519 -0.341 . . . . 15.0 110.816 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.442 HG22 ' H ' ' A' ' 45' ' ' SER . 44.1 mm -119.38 130.26 24.94 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.375 -0.602 . . . . 15.0 109.375 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -51.9 -35.07 58.6 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.847 2.364 . . . . 15.0 113.048 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.442 ' H ' HG22 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -67.11 -18.88 65.51 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.871 0.367 . . . . 15.0 111.74 -179.763 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -86.91 -26.08 24.09 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.001 0.429 . . . . 15.0 111.084 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -124.54 68.7 51.92 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.153 -0.476 . . . . 15.0 110.987 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.86 -32.72 8.73 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.22 1.946 . . . . 15.0 112.329 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -75.09 -10.46 59.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.264 -0.425 . . . . 15.0 111.389 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -92.7 -4.13 53.7 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.71 -0.478 . . . . 15.0 109.71 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 39.6 t30 55.16 56.74 6.17 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 114.992 -1.004 . . . . 15.0 111.232 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mp -84.17 109.85 18.06 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.489 -0.56 . . . . 15.0 109.489 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -144.0 150.63 38.56 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.333 -0.394 . . . . 15.0 110.646 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt 53.59 -129.12 2.32 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.798 -0.637 . . . . 15.0 111.203 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -130.12 26.3 5.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.926 0.393 . . . . 15.0 110.56 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -75.47 136.78 40.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.231 -0.441 . . . . 15.0 110.767 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 50.8 t -71.47 146.31 48.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.198 -0.456 . . . . 15.0 110.269 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.23 179.43 7.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 15.0 109.674 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -119.69 86.82 36.01 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.563 -0.289 . . . . 15.0 110.799 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -92.84 2.32 3.64 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.856 2.371 . . . . 15.0 112.032 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -105.46 -8.44 18.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.689 -0.687 . . . . 15.0 111.547 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 60.64 31.44 20.18 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.157 0.504 . . . . 15.0 109.849 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.32 -171.85 3.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.566 -0.743 . . . . 15.0 111.079 -178.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.432 ' H ' HD12 ' A' ' 64' ' ' LEU . 5.3 mp -51.37 -42.27 61.22 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.518 -0.764 . . . . 15.0 112.868 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -163.59 154.43 13.88 Favored Pre-proline 0 C--O 1.224 -0.255 0 C-N-CA 120.983 -0.287 . . . . 15.0 111.106 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.608 ' HD3' ' O ' ' A' ' 12' ' ' SER . 52.4 Cg_exo -52.22 135.34 52.88 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.995 2.463 . . . . 15.0 113.738 -178.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 -130.78 179.22 6.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.2 -0.909 . . . . 15.0 109.426 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.519 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -164.62 158.25 17.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.719 0.295 . . . . 15.0 110.688 179.755 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -79.21 141.75 36.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 15.0 109.944 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.49 142.15 39.31 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.473 -0.331 . . . . 15.0 111.284 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.78 52.84 2.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.978 0.418 . . . . 15.0 112.056 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -132.48 128.82 21.22 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.463 -0.335 . . . . 15.0 110.263 179.677 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 29.8 Cg_exo -60.08 -21.22 64.61 Favored 'Trans proline' 0 N--CA 1.476 0.472 0 C-N-CA 122.57 2.18 . . . . 15.0 113.388 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -98.04 -0.45 44.57 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.551 -0.295 . . . . 15.0 111.682 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -149.78 104.74 3.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.615 0.245 . . . . 15.0 110.627 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.422 ' HA ' ' NE2' ' A' ' 38' ' ' HIS . 20.7 mtm180 -67.93 -45.21 74.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.217 -0.447 . . . . 15.0 111.231 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 58.5 p-90 -153.42 166.1 33.73 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.876 -0.33 . . . . 15.0 111.018 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -152.21 170.13 20.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.343 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -89.5 162.36 15.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.549 -0.75 . . . . 15.0 110.369 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 11.0 t -117.21 137.35 52.42 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.392 -0.595 . . . . 15.0 109.392 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -90.47 109.76 20.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 15.0 110.68 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.1 mt -124.85 132.61 24.34 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.935 -0.575 . . . . 15.0 110.421 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.35 133.07 44.21 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.702 2.268 . . . . 15.0 112.435 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -101.5 167.72 9.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.107 -0.497 . . . . 15.0 110.788 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.0 m -90.89 164.76 13.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.133 -0.485 . . . . 15.0 110.117 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.08 -36.43 64.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.307 0.575 . . . . 15.0 109.808 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.313 -0.851 . . . . 15.0 110.09 179.483 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.816 0 N-CA-C 111.976 -0.449 . . . . 15.0 111.976 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 4.9 t -155.79 -162.18 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.162 -0.681 . . . . 15.0 109.162 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.417 HG13 ' O ' ' B' ' 103' ' ' VAL . 6.7 p -69.06 99.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.739 0.78 . . . . 15.0 109.793 179.319 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -105.27 -0.6 26.17 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.598 -0.728 . . . . 15.0 111.112 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -68.18 -53.7 23.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.227 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -91.44 57.18 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.724 -0.472 . . . . 15.0 109.724 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.86 -61.18 2.72 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.86 0.689 . . . . 15.0 112.86 -178.366 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.14 93.55 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.899 0.333 . . . . 15.0 111.899 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.03 -49.83 74.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 15.0 111.291 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.72 -41.6 92.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.42 . . . . 15.0 111.224 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -57.74 -49.14 77.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.012 -0.54 . . . . 15.0 110.924 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.32 -47.21 86.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.287 -0.415 . . . . 15.0 111.143 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -59.95 -44.85 94.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 15.0 111.567 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -69.92 -46.95 64.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.685 -0.234 . . . . 15.0 111.56 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 30.9 tp -57.37 -39.57 76.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.16 0.505 . . . . 15.0 110.377 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -72.28 -42.19 65.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.423 -0.808 . . . . 15.0 110.653 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 117' ' ' ASN . . . . . 0.4 ' OD1' ' HA3' ' A' ' 41' ' ' GLY . 7.4 t30 -61.34 -46.97 88.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.76 -0.655 . . . . 15.0 111.465 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -34.05 73.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.424 . . . . 15.0 111.429 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -79.31 -42.24 26.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.382 -0.372 . . . . 15.0 111.117 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.72 -19.27 62.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 15.0 111.83 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -57.95 -17.94 20.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.45 -0.341 . . . . 15.0 111.809 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -60.89 -75.38 0.07 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.773 0.321 . . . . 15.0 111.131 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -134.92 -3.69 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 15.0 111.409 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -95.6 12.75 28.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.618 -0.265 . . . . 15.0 110.722 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.15 -35.75 75.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.103 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -69.52 -26.67 64.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.909 0.385 . . . . 15.0 110.584 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 60.1 ttp85 -86.27 -31.35 21.7 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.305 -0.628 . . . . 15.0 109.305 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -55.82 -50.39 70.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.184 -0.916 . . . . 15.0 110.253 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -61.78 -46.6 88.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.095 -0.502 . . . . 15.0 111.392 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 3.9 m -62.07 -41.61 98.34 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.812 0.339 . . . . 15.0 111.313 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -65.92 -41.79 90.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 15.0 110.854 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -42.62 79.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.934 -0.575 . . . . 15.0 111.637 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -58.58 -53.73 54.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 15.0 111.643 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.69 -36.97 83.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 15.0 110.814 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -62.64 -49.59 74.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.465 . . . . 15.0 111.338 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -32.04 73.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.046 0.45 . . . . 15.0 110.535 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 137' ' ' LYS . . . . . 0.427 ' HB3' ' HE2' ' B' ' 137' ' ' LYS . 34.3 ttpt -63.55 -42.48 98.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.873 -0.603 . . . . 15.0 110.112 179.246 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -75.91 -27.91 57.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.011 -0.541 . . . . 15.0 110.088 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.33 -22.38 66.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.754 -0.657 . . . . 15.0 111.522 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.37 -45.94 83.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.755 0.312 . . . . 15.0 110.693 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -69.6 -37.85 77.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.86 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.444 ' O ' ' HB2' ' B' ' 146' ' ' GLU . 10.6 ttp180 -68.24 -57.03 6.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.261 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -62.49 -22.88 66.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.55 . . . . 15.0 112.213 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 144' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' B' ' 148' ' ' LYS . . . -58.27 -49.07 78.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.36 . . . . 15.0 110.497 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -92.09 -35.5 13.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 15.0 111.661 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 146' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' B' ' 142' ' ' ARG . 9.8 tt0 -58.34 -57.08 14.47 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.872 0.693 . . . . 15.0 112.872 -177.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -77.01 -10.1 59.14 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.194 0.521 . . . . 15.0 111.163 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 148' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' B' ' 144' ' ' ALA . 65.1 tttt -82.21 -45.53 14.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.801 -0.636 . . . . 15.0 110.253 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 45.2 tp -83.14 -53.35 5.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.592 -0.731 . . . . 15.0 110.53 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -95.96 90.6 5.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.061 0.457 . . . . 15.0 110.512 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -87.67 -17.29 32.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.211 -0.45 . . . . 15.0 111.269 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.744 -0.646 . . . . 15.0 110.316 179.854 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.54 0.21 . . . . 15.0 110.572 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -136.77 120.85 17.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.951 0.405 . . . . 15.0 110.734 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -161.72 162.27 29.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.715 -0.675 . . . . 15.0 109.811 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.6 m -136.15 132.19 35.68 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.99 0.424 . . . . 15.0 110.294 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.2 mmt -114.67 167.47 10.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.108 -0.496 . . . . 15.0 110.466 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.3 t60 -66.36 151.63 46.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.317 -0.401 . . . . 15.0 110.187 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.49 -60.59 7.63 Favored Glycine 0 CA--C 1.522 0.487 0 O-C-N 123.44 0.463 . . . . 15.0 113.114 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.6 t -68.05 -41.62 81.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.893 0.378 . . . . 15.0 110.76 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 61.44 44.25 98.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.992 -0.623 . . . . 15.0 112.246 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -70.56 -38.56 74.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.96 0.409 . . . . 15.0 111.226 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -95.17 26.59 3.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.177 -0.465 . . . . 15.0 110.977 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -65.12 112.11 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.647 -0.501 . . . . 15.0 109.647 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.445 ' HA ' ' NH2' ' A' ' 58' ' ' ARG . 8.1 t70 -116.79 11.7 14.6 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.171 -0.468 . . . . 15.0 110.923 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.93 147.67 50.29 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.641 -0.709 . . . . 15.0 112.008 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -76.99 115.5 16.84 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.947 0.403 . . . . 15.0 110.666 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 tt -165.46 131.14 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.536 -0.756 . . . . 15.0 109.838 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 p -130.74 39.8 3.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.21 0.529 . . . . 15.0 110.568 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -142.52 154.35 44.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.659 -0.7 . . . . 15.0 110.48 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.7 p -93.16 177.36 6.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.981 -0.554 . . . . 15.0 110.197 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -68.45 -19.23 64.56 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.182 0.515 . . . . 15.0 110.327 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -12.16 54.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.637 -0.711 . . . . 15.0 110.827 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.2 25.58 33.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.657 -0.782 . . . . 15.0 111.819 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.4 mt -97.16 154.5 17.33 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.263 -0.273 . . . . 15.0 110.263 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -74.8 137.78 42.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.052 -0.522 . . . . 15.0 110.939 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.589 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 28.7 t -90.57 141.43 28.77 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.635 -0.712 . . . . 15.0 111.029 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -87.13 144.57 26.8 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.586 -0.734 . . . . 15.0 110.166 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -70.09 140.8 52.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.496 -0.32 . . . . 15.0 110.786 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -67.99 -19.82 64.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.812 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -103.16 3.59 35.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 15.0 111.32 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.489 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 34.4 t -79.95 147.56 31.56 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.089 -0.337 . . . . 15.0 110.089 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -109.21 36.56 2.87 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 120.72 -0.392 . . . . 15.0 111.873 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.66 142.72 96.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 105.413 -2.069 . . . . 15.0 105.413 175.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -70.9 97.92 0.76 Allowed 'Trans proline' 0 N--CA 1.454 -0.831 0 CA-C-N 121.085 1.423 . . . . 15.0 112.649 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.634 ' NE2' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -123.13 164.63 18.28 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 113.488 -1.687 . . . . 15.0 108.88 176.161 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.27 112.34 24.07 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 106.955 -1.498 . . . . 15.0 106.955 175.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.499 ' HA ' ' NH1' ' B' ' 132' ' ' ARG . 46.5 p-80 -170.92 -177.86 2.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.19 0.519 . . . . 15.0 111.828 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.62 35.76 0.43 Allowed Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.27 -0.877 . . . . 15.0 110.933 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -104.83 108.1 19.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 15.0 110.683 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 8.9 mm -110.88 129.47 23.94 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.968 -0.56 . . . . 15.0 109.577 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -53.62 -27.46 41.74 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.157 2.571 . . . . 15.0 113.608 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.57 -22.22 61.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.045 0.45 . . . . 15.0 111.089 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -95.9 -6.22 39.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.016 -0.538 . . . . 15.0 110.738 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -136.69 56.67 13.82 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.131 -0.486 . . . . 15.0 111.701 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -82.39 -6.41 11.86 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.07 1.846 . . . . 15.0 111.349 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -80.85 -25.47 37.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.909 -1.041 . . . . 15.0 110.707 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -102.19 8.89 40.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.008 0.432 . . . . 15.0 110.444 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 51.4 t30 54.51 56.81 6.39 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.095 -0.957 . . . . 15.0 112.028 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.0 mp -79.52 110.53 14.92 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.504 -0.554 . . . . 15.0 109.504 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -143.8 144.09 31.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.575 0.226 . . . . 15.0 110.722 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt 52.47 -133.77 1.76 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.523 -0.762 . . . . 15.0 111.928 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -120.4 31.5 6.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.989 0.424 . . . . 15.0 110.95 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -81.05 144.65 31.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.268 -0.424 . . . . 15.0 110.333 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.9 t -62.71 132.68 53.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.279 -0.419 . . . . 15.0 109.996 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.445 ' NH2' ' HA ' ' A' ' 17' ' ' ASP . 2.4 mmp_? -133.93 169.85 16.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.776 0.322 . . . . 15.0 110.57 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -134.28 82.98 45.67 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-O 121.343 0.592 . . . . 15.0 109.624 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -85.27 1.97 8.07 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.465 2.11 . . . . 15.0 113.872 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.441 ' HB2' ' HD3' ' B' ' 129' ' ' LYS . 38.1 t70 -109.24 -15.6 14.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.813 0.339 . . . . 15.0 110.825 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.1 mtm105 66.06 29.93 9.78 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.152 -1.055 . . . . 15.0 108.152 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -76.3 -171.62 1.82 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 114.584 -1.189 . . . . 15.0 111.126 -179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.0 mt -51.03 -43.3 60.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.213 -0.903 . . . . 15.0 112.983 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -160.15 148.69 13.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 C-N-CA 120.61 -0.436 . . . . 15.0 111.913 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.52 145.87 21.08 Favored 'Trans proline' 0 C--O 1.238 0.52 0 C-N-CA 123.236 2.624 . . . . 15.0 114.101 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 29.7 p-90 -136.8 173.31 11.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.145 -0.934 . . . . 15.0 109.775 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.589 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 4.9 p -164.88 156.87 15.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.577 -0.283 . . . . 15.0 111.019 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -79.52 147.76 32.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 15.0 109.922 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.31 167.04 10.07 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.888 0.375 . . . . 15.0 111.274 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 p -99.3 18.71 16.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.018 0.437 . . . . 15.0 110.848 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.44 119.64 48.9 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 15.0 109.872 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.5 -21.06 22.71 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.267 2.645 . . . . 15.0 114.686 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -87.29 -11.86 48.31 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.696 0.284 . . . . 15.0 111.604 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.78 109.18 6.91 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.04 -0.355 . . . . 15.0 110.04 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.634 ' HA ' ' NE2' ' A' ' 38' ' ' HIS . 8.8 mtm180 -65.89 -54.03 31.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.616 0.246 . . . . 15.0 110.875 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.408 ' CZ2' ' HA ' ' B' ' 133' ' ' HIS . 66.4 p-90 -146.98 159.75 43.19 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.895 -0.409 . . . . 15.0 109.895 179.002 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -141.22 173.21 11.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.223 0.535 . . . . 15.0 111.345 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -94.49 158.96 15.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.357 -0.838 . . . . 15.0 110.837 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 5.0 t -120.36 138.64 53.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.211 -0.663 . . . . 15.0 109.211 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -95.23 115.97 28.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.807 0.337 . . . . 15.0 110.59 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.9 mt -125.15 132.82 24.4 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.097 -0.501 . . . . 15.0 110.125 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -64.78 122.68 10.59 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.27 1.98 . . . . 15.0 111.177 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -103.28 163.15 12.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.167 -0.47 . . . . 15.0 111.095 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 18.6 m -74.0 149.52 41.24 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.933 -0.576 . . . . 15.0 110.271 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.59 -25.61 50.06 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.905 0.383 . . . . 15.0 110.738 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.215 0 CA-C-O 118.748 -0.644 . . . . 15.0 110.323 179.661 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 112.473 -0.251 . . . . 15.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 14.4 p -157.97 -151.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.723 0.262 . . . . 15.0 110.414 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 p -76.4 74.11 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-O 122.221 1.01 . . . . 15.0 110.523 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -86.93 8.34 23.55 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.361 -0.836 . . . . 15.0 112.197 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -71.48 -27.07 62.98 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.159 0.504 . . . . 15.0 109.838 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -102.2 41.02 1.26 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.75 -0.659 . . . . 15.0 109.55 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -56.9 15.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.633 -0.712 . . . . 15.0 112.627 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.58 -42.35 95.69 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.829 0.307 . . . . 15.0 111.829 -178.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -62.23 -45.48 93.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.052 -0.522 . . . . 15.0 110.787 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.67 -38.04 73.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 15.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -61.84 -48.88 78.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 15.0 110.674 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 65.8 mt -59.49 -41.38 89.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.873 0.368 . . . . 15.0 110.539 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -66.42 -42.54 87.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 15.0 110.359 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -67.86 -44.4 77.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.531 . . . . 15.0 111.101 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 17.3 tp -60.94 -39.18 88.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.113 0.482 . . . . 15.0 110.346 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -68.91 -44.98 72.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.557 -0.747 . . . . 15.0 110.029 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -64.5 -37.52 87.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.897 -0.592 . . . . 15.0 110.747 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -61.88 -44.52 96.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.831 -0.622 . . . . 15.0 111.374 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.18 -35.74 55.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.918 0.39 . . . . 15.0 111.013 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.01 -27.46 65.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.107 -0.497 . . . . 15.0 111.417 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -48.67 -28.4 3.51 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 122.959 0.504 . . . . 15.0 111.623 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -54.35 -67.72 0.24 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.949 -0.569 . . . . 15.0 110.864 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -154.53 4.01 0.24 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.435 0.531 . . . . 15.0 112.435 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.04 3.0 32.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.999 0.428 . . . . 15.0 110.318 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 18.0 tp -58.78 -29.8 67.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.535 -0.757 . . . . 15.0 110.925 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -61.34 -54.68 40.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.808 -0.633 . . . . 15.0 110.526 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -73.75 -33.41 64.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.075 -0.512 . . . . 15.0 110.84 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -58.04 -43.82 87.05 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.347 0.594 . . . . 15.0 109.787 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.441 ' HD3' ' HB2' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -63.83 -38.1 89.83 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.258 -0.883 . . . . 15.0 110.539 179.65 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 1.5 m -71.12 -31.33 67.62 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.319 0.58 . . . . 15.0 110.157 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -65.25 -34.82 79.26 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.709 -0.678 . . . . 15.0 109.836 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 132' ' ' ARG . . . . . 0.499 ' NH1' ' HA ' ' A' ' 40' ' ' HIS . 19.4 mtp180 -59.56 -38.7 81.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.716 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 133' ' ' HIS . . . . . 0.408 ' HA ' ' CZ2' ' A' ' 77' ' ' TRP . 4.2 m-70 -54.86 -42.87 72.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 15.0 111.32 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 134' ' ' ASP . . . . . 0.448 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 25.2 t70 -85.07 -30.72 23.86 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.079 0.4 . . . . 15.0 112.079 -179.053 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -74.47 -45.7 44.48 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.182 0.438 . . . . 15.0 112.182 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.34 -38.34 90.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.712 0.292 . . . . 15.0 111.329 -178.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 137' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 0.2 OUTLIER -64.08 -32.66 74.3 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.727 -0.471 . . . . 15.0 109.727 179.332 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -76.91 -36.31 56.73 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.896 -0.779 . . . . 15.0 108.896 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.03 -37.15 81.57 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.413 -0.812 . . . . 15.0 110.067 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.76 -38.21 72.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.343 -0.39 . . . . 15.0 110.757 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.74 -38.28 21.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.224 -0.443 . . . . 15.0 111.114 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 38.5 ttp85 -71.66 -44.34 64.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.539 -0.3 . . . . 15.0 111.657 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -61.13 -29.84 70.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.652 -0.249 . . . . 15.0 111.283 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 144' ' ' ALA . . . . . 0.539 ' O ' ' HB2' ' B' ' 148' ' ' LYS . . . -60.72 -41.96 96.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 15.0 110.641 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.76 -37.1 16.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.917 -0.583 . . . . 15.0 110.834 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -60.47 -55.41 33.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.823 -0.626 . . . . 15.0 111.507 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -70.73 -17.49 62.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.045 0.45 . . . . 15.0 110.898 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 148' ' ' LYS . . . . . 0.539 ' HB2' ' O ' ' B' ' 144' ' ' ALA . 66.6 tttt -72.63 -26.59 61.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.898 -0.592 . . . . 15.0 109.994 179.313 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 14.3 tp -105.51 -38.4 6.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.827 -0.624 . . . . 15.0 110.464 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -78.49 83.45 4.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.037 -0.529 . . . . 15.0 110.595 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -65.41 0.69 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.387 -0.824 . . . . 15.0 111.398 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.402 -0.808 . . . . 15.0 110.036 -179.636 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 120.573 0.225 . . . . 15.0 110.447 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -150.54 99.03 2.71 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.124 -0.324 . . . . 15.0 110.124 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -166.38 162.67 17.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.445 -0.343 . . . . 15.0 110.46 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.9 m -144.07 150.97 39.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.299 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.5 mmt -114.91 154.6 28.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.569 -0.287 . . . . 15.0 110.449 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.59 95.46 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.998 -0.546 . . . . 15.0 112.146 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 39.43 -101.9 0.02 OUTLIER Glycine 0 CA--C 1.522 0.53 0 O-C-N 124.17 0.919 . . . . 15.0 115.148 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.603 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 47.8 t -65.1 -39.2 92.83 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 122.983 0.513 . . . . 15.0 111.602 -179.206 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.11 48.39 75.8 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.746 -0.74 . . . . 15.0 111.674 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.9 -38.13 87.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.86 0.362 . . . . 15.0 111.109 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -96.76 27.92 3.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.17 -0.468 . . . . 15.0 111.204 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -66.8 110.58 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 15.0 110.839 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -109.14 26.75 10.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.326 0.584 . . . . 15.0 110.306 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.59 159.65 53.11 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.608 -0.724 . . . . 15.0 112.453 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -92.49 105.68 17.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.878 0.371 . . . . 15.0 111.034 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.5 tt -162.66 137.67 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.914 -0.584 . . . . 15.0 109.511 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.37 25.27 3.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.15 0.5 . . . . 15.0 110.979 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -130.6 136.23 48.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.995 -0.548 . . . . 15.0 110.254 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.7 p -80.22 177.23 9.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.752 0.31 . . . . 15.0 110.753 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -70.02 -15.9 63.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.223 0.535 . . . . 15.0 110.328 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.62 -2.73 58.81 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.85 -0.614 . . . . 15.0 110.855 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.46 25.12 63.95 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.892 -0.67 . . . . 15.0 112.419 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.1 mt -98.08 163.18 12.86 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.919 -0.401 . . . . 15.0 109.919 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -91.15 144.03 26.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.011 0.434 . . . . 15.0 110.578 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.622 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 3.5 t -96.34 141.88 29.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.808 -0.633 . . . . 15.0 111.897 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -88.06 139.13 30.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.547 -0.752 . . . . 15.0 109.848 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.546 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -62.6 141.58 58.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.499 -0.319 . . . . 15.0 110.961 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -63.83 -23.01 67.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.063 -0.517 . . . . 15.0 111.591 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -98.68 -9.86 24.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.454 -0.339 . . . . 15.0 111.426 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.546 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 13.0 t -77.21 146.12 37.18 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 108.341 -0.985 . . . . 15.0 108.341 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -118.93 60.37 0.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.76 1.022 . . . . 15.0 113.76 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.18 161.15 79.94 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 105.016 -2.216 . . . . 15.0 105.016 174.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -72.28 97.49 0.86 Allowed 'Trans proline' 0 N--CA 1.455 -0.768 0 CA-C-N 122.084 1.78 . . . . 15.0 111.918 -178.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.535 ' NE2' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -124.63 162.65 23.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.025 -1.443 . . . . 15.0 110.141 176.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.75 113.34 26.78 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 106.961 -1.496 . . . . 15.0 106.961 174.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -171.62 -176.35 1.77 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.292 0.568 . . . . 15.0 112.314 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.7 28.37 0.48 Allowed Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.026 -0.988 . . . . 15.0 110.792 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -94.59 73.29 3.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.958 0.409 . . . . 15.0 110.941 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.49 HG22 ' H ' ' A' ' 45' ' ' SER . 33.0 mm -79.97 131.37 63.54 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.092 -0.504 . . . . 15.0 110.093 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -52.75 -31.23 50.05 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.991 2.461 . . . . 15.0 112.595 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.49 ' H ' HG22 ' A' ' 43' ' ' ILE . 1.1 m -70.69 -11.6 61.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.017 -0.538 . . . . 15.0 111.431 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -99.05 -15.4 19.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.514 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -136.4 60.07 30.04 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.29 -0.414 . . . . 15.0 111.206 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.74 -24.03 18.66 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 121.897 1.732 . . . . 15.0 111.972 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -77.53 -12.27 59.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.825 -0.625 . . . . 15.0 111.413 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -98.05 3.98 49.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.016 0.436 . . . . 15.0 109.991 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 55.4 t30 52.39 61.52 3.16 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.092 -0.958 . . . . 15.0 111.94 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.1 mp -84.42 109.46 17.89 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.52 -0.548 . . . . 15.0 109.52 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -146.52 148.99 32.76 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 116.187 -0.46 . . . . 15.0 110.355 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt 51.83 -142.1 0.76 Allowed 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.593 0.558 . . . . 15.0 111.261 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.415 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 32.8 p-10 -118.87 28.99 7.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.112 0.482 . . . . 15.0 110.249 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -77.87 140.53 39.34 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.874 -0.603 . . . . 15.0 110.364 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 9.3 t -60.46 129.89 43.87 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.826 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 58' ' ' ARG . 5.8 mmp_? -134.67 166.44 22.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.999 -0.546 . . . . 15.0 109.869 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -126.94 75.54 76.19 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.653 -0.499 . . . . 15.0 109.653 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -87.91 -4.94 7.02 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.696 2.264 . . . . 15.0 111.728 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.45 ' OD2' ' HB2' ' B' ' 129' ' ' LYS . 0.4 OUTLIER -91.67 -23.17 19.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.538 -0.755 . . . . 15.0 110.213 -179.622 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 mtm105 65.55 35.98 6.85 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.643 -0.708 . . . . 15.0 109.932 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -89.51 -169.47 2.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.87 -1.059 . . . . 15.0 110.155 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.5 mt -49.65 -46.73 49.99 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.906 0.706 . . . . 15.0 112.906 -178.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -156.17 155.85 29.6 Favored Pre-proline 0 C--N 1.331 -0.239 0 C-N-CA 120.715 -0.394 . . . . 15.0 111.756 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.603 ' HD3' ' O ' ' A' ' 12' ' ' SER . 32.0 Cg_exo -56.6 144.13 86.42 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.956 2.437 . . . . 15.0 113.717 -179.084 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 43.8 p-90 -139.34 -176.44 4.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.022 -0.99 . . . . 15.0 109.425 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.622 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 2.5 p -165.67 154.22 11.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.626 0.25 . . . . 15.0 110.701 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -75.52 133.51 40.99 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.488 -0.56 . . . . 15.0 109.488 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.31 155.62 16.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.233 -0.44 . . . . 15.0 111.454 -178.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.64 11.3 3.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 15.0 112.086 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.5 OUTLIER -94.62 127.37 44.02 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 110.399 -0.223 . . . . 15.0 110.399 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 18.4 Cg_exo -66.12 -19.5 57.08 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.395 2.063 . . . . 15.0 112.866 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -88.2 -18.29 29.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.538 -0.301 . . . . 15.0 111.411 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.8 tptp -133.23 109.57 9.51 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.855 -0.424 . . . . 15.0 109.855 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.535 ' HA ' ' NE2' ' A' ' 38' ' ' HIS . 9.1 mtm180 -64.34 -56.0 17.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.278 -0.419 . . . . 15.0 111.388 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.9 p-90 -146.71 153.73 40.6 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.794 -0.363 . . . . 15.0 110.673 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -139.06 165.05 28.15 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.079 -0.509 . . . . 15.0 110.63 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -83.4 160.97 21.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.548 -0.751 . . . . 15.0 111.718 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.6 t -118.06 134.32 55.09 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.035 -0.728 . . . . 15.0 109.035 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -89.3 96.7 10.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.012 0.434 . . . . 15.0 110.867 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.5 mt -111.85 125.64 29.94 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.535 -0.757 . . . . 15.0 109.983 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.91 122.98 12.52 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 122.886 2.391 . . . . 15.0 112.841 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -98.58 159.68 14.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.744 -0.662 . . . . 15.0 110.237 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 17.7 m -72.68 149.04 44.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.348 -0.387 . . . . 15.0 110.666 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.07 -20.39 48.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.014 0.435 . . . . 15.0 110.985 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.294 -0.86 . . . . 15.0 110.442 179.828 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.806 0 N-CA-C 112.052 -0.419 . . . . 15.0 112.052 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.64 153.59 21.04 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.389 -0.226 . . . . 15.0 110.389 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 14.5 p -64.83 134.74 29.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 121.302 0.572 . . . . 15.0 111.454 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -122.22 43.42 2.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.004 -0.544 . . . . 15.0 110.856 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -68.76 -30.02 68.53 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.138 -0.483 . . . . 15.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.4 ' HB3' ' HB3' ' B' ' 109' ' ' ASP . 1.9 mm? -97.67 77.15 2.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.959 -0.564 . . . . 15.0 110.587 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -63.48 1.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.874 0.369 . . . . 15.0 111.97 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.91 -36.88 78.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.29 -0.414 . . . . 15.0 111.977 -178.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 109' ' ' ASP . . . . . 0.4 ' HB3' ' HB3' ' B' ' 106' ' ' LEU . 0.3 OUTLIER -56.73 -51.34 69.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.161 -0.472 . . . . 15.0 111.326 -179.333 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.03 -36.23 74.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.087 -0.506 . . . . 15.0 111.154 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.47 -50.24 72.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.433 -0.349 . . . . 15.0 110.645 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 99.4 mt -62.66 -47.75 82.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 15.0 110.858 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -60.11 -46.45 89.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.851 -0.613 . . . . 15.0 111.495 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -66.71 -46.13 76.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.634 -0.257 . . . . 15.0 110.956 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 27.7 tp -56.41 -50.1 72.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 15.0 110.716 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -62.89 -38.66 91.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.625 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -63.56 -45.59 89.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.335 -0.393 . . . . 15.0 111.161 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -68.91 -34.2 75.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.631 -0.259 . . . . 15.0 111.157 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.47 -45.27 60.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.136 0.493 . . . . 15.0 110.285 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.23 -18.87 61.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.949 -0.569 . . . . 15.0 111.552 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -52.6 -24.66 8.74 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 122.94 0.496 . . . . 15.0 112.332 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.28 -69.27 0.23 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.487 -0.324 . . . . 15.0 111.572 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -137.39 -4.78 1.84 Allowed 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.379 0.511 . . . . 15.0 112.379 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -97.64 11.22 37.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.516 -0.311 . . . . 15.0 110.581 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 33.6 tp -56.93 -37.85 72.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.235 -0.439 . . . . 15.0 111.874 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.13 -36.91 82.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.387 -0.369 . . . . 15.0 111.009 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 37.6 ttp85 -81.45 -25.1 36.4 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.579 -0.448 . . . . 15.0 109.986 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -59.32 -51.18 71.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 15.0 110.174 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.487 ' HG2' ' N ' ' B' ' 130' ' ' SER . 0.1 OUTLIER -63.08 -39.34 94.43 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.392 -0.367 . . . . 15.0 110.923 -179.729 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 130' ' ' SER . . . . . 0.487 ' N ' ' HG2' ' B' ' 129' ' ' LYS . 1.6 m -65.31 -42.44 93.02 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.044 0.449 . . . . 15.0 110.954 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -65.76 -42.5 90.79 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.096 -0.502 . . . . 15.0 109.793 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -43.87 79.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.73 -0.668 . . . . 15.0 110.355 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -53.46 53.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.415 -0.811 . . . . 15.0 112.072 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 134' ' ' ASP . . . . . 0.519 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 15.3 t70 -74.68 -32.27 62.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.284 -0.416 . . . . 15.0 112.002 -178.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -69.77 -39.66 76.52 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.709 0.29 . . . . 15.0 110.975 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -61.52 -43.38 98.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.161 -0.472 . . . . 15.0 110.947 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 137' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 3.9 ptpt -66.64 -20.43 65.99 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.417 -0.356 . . . . 15.0 110.881 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -85.05 -31.65 23.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.4 0.619 . . . . 15.0 109.402 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 139' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' B' ' 143' ' ' LYS . 49.5 mm-40 -75.61 -8.86 57.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.402 -0.817 . . . . 15.0 110.641 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.03 -59.46 4.88 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.311 0.382 . . . . 15.0 111.55 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 41.0 mp0 -79.11 -34.82 43.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.929 0.395 . . . . 15.0 110.745 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 9.2 ttp85 -62.09 -49.0 77.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.252 -0.431 . . . . 15.0 111.312 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 143' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' B' ' 139' ' ' GLU . 28.4 mmtm -68.5 -33.11 73.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.306 0.098 . . . . 15.0 110.971 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -55.99 -43.99 78.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 15.0 111.106 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -89.22 -28.44 19.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.223 -0.444 . . . . 15.0 111.567 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -68.16 -51.63 43.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.517 -0.311 . . . . 15.0 110.428 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -64.66 -31.0 72.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.165 0.507 . . . . 15.0 110.149 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -67.78 -49.2 63.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.672 -0.694 . . . . 15.0 110.821 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 20.2 tp -73.93 -42.25 60.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.97 0.414 . . . . 15.0 110.529 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -94.13 86.85 5.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.221 0.534 . . . . 15.0 110.565 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -74.84 -16.44 60.69 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.943 -0.572 . . . . 15.0 109.865 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 . . . . . 0 C--O 1.246 0.876 0 CA-C-O 118.507 -0.758 . . . . 15.0 109.517 178.626 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.233 0.192 0 N-CA-C 110.275 -0.269 . . . . 15.0 110.275 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -86.06 132.68 33.99 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.305 -0.407 . . . . 15.0 110.839 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -167.26 156.39 10.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 15.0 111.206 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.9 m -143.21 137.76 29.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.763 -0.653 . . . . 15.0 110.024 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.438 ' HG3' HG21 ' A' ' 82' ' ' ILE . 20.4 mmt -117.45 168.87 9.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.115 0.484 . . . . 15.0 111.526 -178.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -66.01 151.83 45.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.379 -0.828 . . . . 15.0 110.561 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -47.42 -65.69 2.24 Favored Glycine 0 C--N 1.332 0.354 0 O-C-N 123.487 0.492 . . . . 15.0 114.263 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 m -68.17 -42.89 79.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.967 0.413 . . . . 15.0 111.126 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 66' ' ' PRO . . . 72.5 31.76 62.78 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.727 -0.749 . . . . 15.0 112.924 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.05 -32.4 59.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.343 0.592 . . . . 15.0 109.728 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -89.23 27.17 1.46 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.451 -0.795 . . . . 15.0 109.886 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -67.85 114.84 6.76 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.668 -0.696 . . . . 15.0 110.679 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.58 19.53 18.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.789 -0.641 . . . . 15.0 109.852 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.41 164.5 52.5 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.266 -0.879 . . . . 15.0 113.013 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -112.93 106.24 14.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.879 0.371 . . . . 15.0 110.576 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 tt -155.06 126.48 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.641 -0.503 . . . . 15.0 109.641 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.77 3.88 27.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.225 -0.443 . . . . 15.0 111.726 -178.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -117.75 152.75 34.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.831 0.348 . . . . 15.0 110.639 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.4 p -89.82 179.33 6.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.39 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -66.02 -17.73 64.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.75 0.31 . . . . 15.0 111.229 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -93.17 -5.94 48.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.276 -0.42 . . . . 15.0 111.363 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.31 7.79 69.28 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.491 -0.862 . . . . 15.0 112.838 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.5 mt -84.34 157.02 21.62 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.896 -0.409 . . . . 15.0 109.896 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -81.78 139.78 34.61 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.109 0.481 . . . . 15.0 111.598 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 6.9 t -87.76 135.89 33.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.68 -0.691 . . . . 15.0 110.598 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -82.32 138.25 34.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.911 -0.586 . . . . 15.0 110.096 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.543 ' HB3' ' OG ' ' A' ' 34' ' ' SER . . . -65.19 138.56 58.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.965 0.412 . . . . 15.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -66.3 -20.75 66.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.502 -0.772 . . . . 15.0 111.179 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -103.16 4.81 37.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.46 -0.337 . . . . 15.0 111.051 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.543 ' OG ' ' HB3' ' A' ' 31' ' ' ALA . 24.0 m -91.1 128.68 37.01 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.846 -0.427 . . . . 15.0 109.846 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -90.86 43.01 1.13 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.336 0.495 . . . . 15.0 112.336 -178.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -67.28 139.6 94.91 Favored Pre-proline 0 C--O 1.235 0.336 0 N-CA-C 105.032 -2.21 . . . . 15.0 105.032 175.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -71.03 98.1 0.79 Allowed 'Trans proline' 0 N--CA 1.456 -0.687 0 CA-C-N 120.522 1.222 . . . . 15.0 114.045 -175.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.425 ' NE2' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -124.03 165.73 16.96 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 113.235 -1.802 . . . . 15.0 107.738 174.761 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -96.79 111.5 23.65 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.448 -1.315 . . . . 15.0 107.448 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -171.15 176.0 4.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.875 0.369 . . . . 15.0 111.373 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -145.07 39.36 1.19 Allowed Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.666 -0.697 . . . . 15.0 111.601 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -105.73 125.71 51.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.709 0.29 . . . . 15.0 111.121 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.536 HG22 ' H ' ' A' ' 45' ' ' SER . 35.6 mm -136.35 133.42 19.36 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 108.602 -0.888 . . . . 15.0 108.602 179.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -50.28 -34.85 41.8 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.072 2.515 . . . . 15.0 113.404 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.536 ' H ' HG22 ' A' ' 43' ' ' ILE . 1.4 m -71.62 -4.94 30.01 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.32 0.489 . . . . 15.0 112.32 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.506 ' CD ' ' HB ' ' A' ' 43' ' ' ILE . 39.9 mtpt -102.81 -17.96 15.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.988 0.423 . . . . 15.0 110.404 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.43 ' N ' ' HD3' ' A' ' 48' ' ' PRO . 81.0 m-85 -136.27 62.34 43.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 15.0 110.531 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 47' ' ' PHE . 3.3 Cg_exo -74.14 -27.27 11.92 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.501 2.134 . . . . 15.0 112.135 -178.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -75.87 -15.74 60.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 15.0 110.79 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -94.39 -0.05 55.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.134 -0.485 . . . . 15.0 110.324 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.9 t30 56.68 61.3 2.7 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.346 -0.843 . . . . 15.0 111.683 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 mp -93.64 110.38 21.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.023 -0.535 . . . . 15.0 109.649 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -146.4 152.79 39.63 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.183 -0.462 . . . . 15.0 109.809 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt 53.38 -129.29 2.32 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.722 0.639 . . . . 15.0 111.147 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.471 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . 29.7 p-10 -131.14 32.26 4.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.092 0.472 . . . . 15.0 110.292 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -72.38 147.48 46.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.815 -0.63 . . . . 15.0 110.501 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 5.8 t -67.55 126.76 30.33 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.129 -0.693 . . . . 15.0 109.129 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -137.55 176.13 8.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.74 0.305 . . . . 15.0 110.57 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -147.06 92.64 4.9 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-O 121.109 0.48 . . . . 15.0 109.852 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -84.5 -1.85 9.76 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.358 2.038 . . . . 15.0 113.63 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 62' ' ' ARG . 32.2 t70 -104.26 -24.8 13.08 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.904 -0.318 . . . . 15.0 111.555 -179.129 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 19.4 mtm180 74.99 37.96 0.46 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.688 0.618 . . . . 15.0 109.336 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -81.49 -169.59 2.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.539 -0.755 . . . . 15.0 111.104 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.08 -39.93 43.98 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.64 0.978 . . . . 15.0 113.64 -178.001 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -163.35 152.94 12.77 Favored Pre-proline 0 N--CA 1.468 0.425 0 CA-C-N 118.327 0.512 . . . . 15.0 112.028 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.405 ' HG3' ' O ' ' A' ' 13' ' ' GLY . 50.4 Cg_exo -53.2 149.43 28.35 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.144 2.563 . . . . 15.0 113.378 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 -146.8 171.22 15.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.238 -0.892 . . . . 15.0 109.789 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.598 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -161.12 155.25 22.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.412 -0.358 . . . . 15.0 110.601 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -73.68 143.21 46.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.114 -0.494 . . . . 15.0 109.809 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.47 156.79 17.08 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.789 0.328 . . . . 15.0 111.181 -179.379 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.73 34.93 1.28 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.422 0.63 . . . . 15.0 110.389 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 1.9 m-20 -114.46 127.23 27.03 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.639 -0.71 . . . . 15.0 110.081 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 31.9 Cg_exo -58.5 -21.01 52.11 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.778 2.319 . . . . 15.0 113.311 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -101.65 3.93 40.29 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.644 0.238 . . . . 15.0 111.644 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -141.06 115.15 9.21 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.81 -0.356 . . . . 15.0 110.971 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.425 ' HA ' ' NE2' ' A' ' 38' ' ' HIS . 81.0 mtt-85 -67.69 -63.22 1.1 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.184 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.2 p-90 -145.36 164.87 30.14 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.278 -0.638 . . . . 15.0 109.278 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -139.33 163.93 31.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.363 0.601 . . . . 15.0 111.55 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -86.49 162.45 18.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.742 -1.117 . . . . 15.0 110.87 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 8.0 t -116.76 144.82 44.01 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.056 -0.72 . . . . 15.0 109.056 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -111.56 105.11 13.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.78 0.324 . . . . 15.0 110.402 -178.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.438 HG21 ' HG3' ' A' ' 9' ' ' MET . 1.8 mt -128.2 134.08 25.85 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.134 -0.485 . . . . 15.0 109.95 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -65.49 123.4 11.39 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.31 2.006 . . . . 15.0 112.217 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.69 156.64 17.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.358 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.0 m -69.92 150.87 46.28 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.857 -0.61 . . . . 15.0 110.573 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.9 60.53 4.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.375 0.607 . . . . 15.0 110.672 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.237 -0.887 . . . . 15.0 109.839 -179.661 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.789 0 N-CA-C 112.28 -0.328 . . . . 15.0 112.28 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 6.0 t -146.42 -157.25 0.79 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.6 -0.518 . . . . 15.0 109.6 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 3.6 p -70.95 101.21 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.856 0.836 . . . . 15.0 109.855 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -116.4 15.73 15.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.206 -0.906 . . . . 15.0 110.601 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -59.33 -45.6 90.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.628 -0.715 . . . . 15.0 110.717 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -97.74 53.37 1.11 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.019 -0.537 . . . . 15.0 109.786 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -39.69 85.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.586 -0.734 . . . . 15.0 111.948 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.529 ' O ' ' HG ' ' B' ' 112' ' ' LEU . . . -74.2 -43.8 55.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.74 0.305 . . . . 15.0 110.53 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.07 -49.7 76.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.955 -0.566 . . . . 15.0 110.707 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.62 -38.28 90.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.829 -0.623 . . . . 15.0 111.146 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.56 -52.44 65.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.938 0.399 . . . . 15.0 110.605 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' B' ' 108' ' ' ALA . 41.7 mt -61.68 -43.96 97.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.83 -0.623 . . . . 15.0 111.076 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -64.12 -44.42 92.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.089 -0.505 . . . . 15.0 111.163 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -66.01 -47.64 73.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.714 -0.221 . . . . 15.0 111.241 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 36.7 tp -60.42 -44.14 96.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.76 0.314 . . . . 15.0 110.808 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -65.96 -46.57 77.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.029 -0.532 . . . . 15.0 110.653 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -62.52 -49.01 77.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.989 -0.551 . . . . 15.0 111.553 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.73 -34.18 75.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 15.0 111.804 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.6 -32.09 60.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.428 0.633 . . . . 15.0 109.956 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -78.38 -17.59 56.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.43 -0.804 . . . . 15.0 111.45 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.34 -24.19 0.45 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.339 0.866 . . . . 15.0 113.339 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -64.21 -59.77 4.02 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.515 0.198 . . . . 15.0 111.204 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -149.01 -31.16 0.24 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.731 0.271 . . . . 15.0 111.731 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.74 -8.71 15.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.376 -0.375 . . . . 15.0 111.594 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 25.1 tp -53.87 -34.05 58.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.386 . . . . 15.0 111.007 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -64.56 -46.49 82.56 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.072 -0.513 . . . . 15.0 110.266 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 52.9 ttp85 -71.98 -33.2 67.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.271 -0.422 . . . . 15.0 110.233 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -60.48 -39.52 87.98 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 108.342 -0.985 . . . . 15.0 108.342 178.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.437 ' HB2' ' HE3' ' B' ' 129' ' ' LYS . 17.8 ttmt -60.97 -47.05 88.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.486 -1.234 . . . . 15.0 110.019 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 1.4 m -68.98 -30.3 68.68 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.571 -0.74 . . . . 15.0 110.784 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -69.41 -45.68 68.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 15.0 110.071 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -33.4 68.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.936 -0.575 . . . . 15.0 110.151 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.6 -46.34 89.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.169 -0.923 . . . . 15.0 111.413 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 134' ' ' ASP . . . . . 0.621 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 32.7 t70 -84.54 -35.93 22.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.163 -0.471 . . . . 15.0 112.132 -178.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -62.65 -24.42 67.6 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.225 0.454 . . . . 15.0 112.225 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 136' ' ' ASP . . . . . 0.403 ' OD1' ' HD2' ' A' ' 76' ' ' ARG . 2.1 t70 -63.82 -44.75 92.29 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.173 0.434 . . . . 15.0 112.173 -178.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 137' ' ' LYS . . . . . 0.621 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 8.2 ptpt -63.24 -30.92 71.97 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.899 0.381 . . . . 15.0 110.354 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -79.12 -36.43 40.62 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.506 -0.553 . . . . 15.0 109.506 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.17 -42.92 95.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.47 -0.786 . . . . 15.0 110.034 179.097 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.17 93.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.107 -0.497 . . . . 15.0 110.592 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -68.15 -28.44 67.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.792 -0.64 . . . . 15.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' B' ' 142' ' ' ARG . 13.1 ttp180 -87.45 -55.0 3.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.097 -0.501 . . . . 15.0 111.585 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 143' ' ' LYS . . . . . 0.435 ' HA ' ' HB3' ' B' ' 146' ' ' GLU . 42.1 mmtm -56.89 -27.44 60.67 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.532 0.567 . . . . 15.0 112.532 -178.236 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -52.81 -47.98 67.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 15.0 110.632 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -91.2 -41.59 10.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 15.0 111.035 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 146' ' ' GLU . . . . . 0.435 ' HB3' ' HA ' ' B' ' 143' ' ' LYS . 28.7 tt0 -55.59 -53.7 53.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.671 -0.695 . . . . 15.0 112.336 -178.243 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -70.62 -26.09 63.33 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.115 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -69.85 -46.95 64.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.113 -0.494 . . . . 15.0 110.256 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 38.7 tp -67.18 -44.25 80.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.348 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -77.35 97.71 4.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.919 0.39 . . . . 15.0 110.709 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 151' ' ' ASP . . . . . 0.401 ' OD2' ' HD1' ' B' ' 152' ' ' TYR . 8.4 p-10 -77.4 -26.1 51.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.261 -0.427 . . . . 15.0 110.995 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 152' ' ' TYR . . . . . 0.401 ' HD1' ' OD2' ' B' ' 151' ' ' ASP . 3.1 m-85 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.396 -0.812 . . . . 15.0 110.386 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.813 0.339 . . . . 15.0 110.455 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -130.09 128.03 41.05 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.467 -0.333 . . . . 15.0 110.271 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -163.38 161.03 24.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.394 . . . . 15.0 110.514 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.404 ' HB3' ' SG ' ' A' ' 85' ' ' CYS . 57.1 m -143.56 135.13 26.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.343 -0.389 . . . . 15.0 110.446 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.2 mmt -113.94 160.43 18.82 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.868 0.366 . . . . 15.0 111.176 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -81.49 96.76 7.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.659 -0.7 . . . . 15.0 112.028 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 44.04 -109.41 0.25 Allowed Glycine 0 C--N 1.332 0.313 0 CA-C-N 115.092 -0.958 . . . . 15.0 114.912 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.428 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 71.4 m -68.96 -26.45 65.06 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.417 0.525 . . . . 15.0 112.417 -178.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.86 52.8 50.12 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.517 -0.849 . . . . 15.0 111.681 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -67.8 -17.43 64.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.051 0.453 . . . . 15.0 111.018 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -109.01 24.27 13.37 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.293 0.568 . . . . 15.0 109.763 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -69.53 109.14 4.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.762 -0.653 . . . . 15.0 110.099 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.462 ' HA ' ' NH2' ' A' ' 58' ' ' ARG . 26.6 t0 -113.78 32.46 5.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.397 0.618 . . . . 15.0 109.997 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.87 144.05 28.39 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.52 -0.764 . . . . 15.0 111.733 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -80.06 105.81 11.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.402 0.62 . . . . 15.0 111.022 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.9 tt -158.0 131.52 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.209 -0.905 . . . . 15.0 109.557 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.94 32.99 5.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.023 0.439 . . . . 15.0 110.734 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -137.1 147.22 45.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.069 -0.514 . . . . 15.0 110.516 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.407 HG21 ' HB2' ' A' ' 78' ' ' GLU . 3.3 p -88.95 177.8 6.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.074 -0.512 . . . . 15.0 110.376 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -70.04 -15.33 62.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 15.0 110.217 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.5 m -88.24 2.23 52.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 15.0 110.69 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.7 24.11 75.24 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 120.946 -0.645 . . . . 15.0 112.596 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.2 mt -96.89 163.49 12.95 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.144 -0.317 . . . . 15.0 110.144 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -88.51 141.31 28.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.05 0.452 . . . . 15.0 111.106 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.572 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 43.0 t -91.38 140.31 29.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.737 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -86.04 147.67 26.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.557 -0.747 . . . . 15.0 109.495 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.23 139.37 50.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.82 0.343 . . . . 15.0 110.145 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -65.17 -23.02 66.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.754 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -101.84 13.84 33.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.19 -0.459 . . . . 15.0 111.29 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -81.2 168.77 18.15 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.624 0.249 . . . . 15.0 110.83 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 35' ' ' GLN . 1.4 mm-40 -118.12 22.47 12.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.395 -0.366 . . . . 15.0 111.845 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.41 133.33 94.39 Favored Pre-proline 0 N--CA 1.45 -0.442 0 N-CA-C 105.974 -1.862 . . . . 15.0 105.974 177.05 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.31 101.06 1.2 Allowed 'Trans proline' 0 N--CA 1.455 -0.748 0 CA-C-N 119.584 0.887 . . . . 15.0 114.153 -175.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.459 ' CD2' ' HG2' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -122.57 162.91 20.94 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 113.931 -1.486 . . . . 15.0 108.348 175.22 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.19 111.83 23.59 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.536 -0.913 . . . . 15.0 108.536 176.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -171.5 -178.97 2.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.821 0.343 . . . . 15.0 111.055 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.83 25.05 0.73 Allowed Glycine 0 N--CA 1.452 -0.299 0 N-CA-C 111.418 -0.673 . . . . 15.0 111.418 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.415 ' CE2' ' HG3' ' B' ' 129' ' ' LYS . 14.6 m-85 -97.93 109.18 21.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.04 0.447 . . . . 15.0 110.559 -179.138 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.8 mm -112.02 135.52 21.27 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 115.662 -0.699 . . . . 15.0 109.275 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -50.14 -34.03 37.66 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.934 2.423 . . . . 15.0 113.542 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.59 -16.47 64.19 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.908 0.385 . . . . 15.0 111.455 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -94.06 -11.94 29.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.434 -0.348 . . . . 15.0 110.503 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -134.73 61.96 51.07 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.15 -0.477 . . . . 15.0 110.972 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -73.31 -24.25 16.85 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 121.92 1.747 . . . . 15.0 112.147 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -80.43 -21.74 41.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.664 -0.698 . . . . 15.0 111.099 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt -87.45 0.91 54.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.881 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.1 t30 55.43 53.09 10.28 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.656 -0.702 . . . . 15.0 111.63 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 mp -83.81 110.44 18.35 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.198 -0.667 . . . . 15.0 109.198 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -147.66 150.25 34.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.444 -0.344 . . . . 15.0 110.52 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt 54.76 -136.16 1.33 Allowed 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.739 0.65 . . . . 15.0 111.594 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -127.21 35.07 4.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.512 0.672 . . . . 15.0 109.81 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -83.58 147.34 27.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.543 -0.753 . . . . 15.0 110.499 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 14.8 t -61.62 126.66 28.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.934 -0.575 . . . . 15.0 110.016 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.462 ' NH2' ' HA ' ' A' ' 17' ' ' ASP . 2.2 mmp_? -133.2 165.15 25.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.133 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -136.78 81.93 33.24 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 121.136 0.493 . . . . 15.0 110.125 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -85.52 6.33 5.67 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.578 2.185 . . . . 15.0 112.835 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -110.88 -13.97 14.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.623 0.249 . . . . 15.0 111.227 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 63.45 36.07 11.61 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.005 -0.543 . . . . 15.0 110.774 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.58 -171.74 2.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 15.0 110.907 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.1 mp -51.78 -46.55 64.21 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.182 0.808 . . . . 15.0 113.182 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.408 ' NH2' ' HA ' ' A' ' 81' ' ' ASP . 2.4 ptm180 -152.92 146.41 18.03 Favored Pre-proline 0 N--CA 1.465 0.308 0 C-N-CA 121.019 -0.272 . . . . 15.0 111.597 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 12' ' ' SER . 61.0 Cg_exo -51.37 142.35 37.95 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.196 2.597 . . . . 15.0 113.909 -179.136 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 18.7 p-90 -130.88 176.87 7.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.788 -1.097 . . . . 15.0 109.472 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.572 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -161.93 149.03 14.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.795 0.331 . . . . 15.0 110.995 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -74.4 134.98 42.4 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.4 -0.593 . . . . 15.0 109.4 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.54 174.95 6.86 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 120.652 0.263 . . . . 15.0 110.808 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.14 17.19 23.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.21 0.529 . . . . 15.0 110.384 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.45 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.8 OUTLIER -95.32 134.68 24.09 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.546 -0.752 . . . . 15.0 110.23 -179.691 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 17.0 Cg_exo -66.13 -27.74 49.13 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.368 2.045 . . . . 15.0 112.678 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -87.67 -8.32 56.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.196 -0.456 . . . . 15.0 111.812 -178.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -141.36 108.55 5.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.79 0.329 . . . . 15.0 110.383 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.459 ' HG2' ' CD2' ' A' ' 38' ' ' HIS . 26.6 mtm-85 -67.05 -49.84 63.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.093 -0.503 . . . . 15.0 111.309 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.2 p-90 -147.68 159.49 43.73 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.011 -0.54 . . . . 15.0 109.976 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.407 ' HB2' HG21 ' A' ' 23' ' ' THR . 27.7 mm-40 -145.93 173.36 12.21 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.146 -0.316 . . . . 15.0 110.146 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -95.36 161.76 13.95 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.149 0.499 . . . . 15.0 111.289 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 6.9 t -117.39 160.38 21.25 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.117 -0.697 . . . . 15.0 109.117 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.408 ' HA ' ' NH2' ' A' ' 65' ' ' ARG . 38.0 t70 -111.51 110.74 21.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.033 0.444 . . . . 15.0 111.253 -179.168 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.8 mt -124.37 130.18 24.42 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.787 -0.642 . . . . 15.0 109.933 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.94 123.57 12.85 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.672 2.248 . . . . 15.0 112.07 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -104.01 159.57 15.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.222 -0.445 . . . . 15.0 111.02 -178.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 55.7 m -73.62 165.43 25.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.078 -0.51 . . . . 15.0 110.275 178.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.26 8.31 24.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.883 0.373 . . . . 15.0 111.159 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.497 -0.763 . . . . 15.0 110.784 -179.85 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 112.154 -0.378 . . . . 15.0 112.154 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 4.1 t -149.12 -153.04 0.47 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.091 -0.707 . . . . 15.0 109.091 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.428 HG13 ' O ' ' B' ' 103' ' ' VAL . 7.0 p -77.0 81.0 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-O 122.323 1.059 . . . . 15.0 110.361 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -92.35 -2.22 56.52 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.478 -0.783 . . . . 15.0 111.134 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -62.37 -42.25 99.26 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.154 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -87.26 50.38 2.0 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.716 -0.475 . . . . 15.0 109.716 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.49 -46.23 76.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.365 -0.834 . . . . 15.0 112.302 -178.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.464 ' O ' ' HG ' ' B' ' 112' ' ' LEU . . . -81.67 -44.55 16.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.876 0.324 . . . . 15.0 111.876 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.27 -48.69 79.64 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.438 -0.347 . . . . 15.0 111.793 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.71 78.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 15.0 110.762 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.44 -50.95 67.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 15.0 110.763 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 108' ' ' ALA . 83.0 mt -58.54 -42.69 88.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 15.0 110.946 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -68.36 -42.76 78.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 15.0 111.147 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 38.5 ttm-85 -66.84 -46.98 73.36 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.107 0.254 . . . . 15.0 110.61 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 18.5 tp -55.65 -48.8 74.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.896 -0.593 . . . . 15.0 110.442 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -63.37 -45.87 89.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.455 -0.793 . . . . 15.0 110.614 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -62.27 -41.37 98.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.501 . . . . 15.0 111.474 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -66.79 -33.63 76.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.959 0.409 . . . . 15.0 110.947 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -79.08 -38.55 36.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.134 0.492 . . . . 15.0 110.389 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.86 -18.34 62.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.875 -0.602 . . . . 15.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -52.36 -24.98 8.58 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.761 -0.654 . . . . 15.0 112.168 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -59.3 -71.32 0.12 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.676 0.274 . . . . 15.0 111.114 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -149.35 16.66 0.92 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 15.0 111.807 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -111.33 3.31 18.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.927 0.394 . . . . 15.0 110.033 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 29.6 tp -60.04 -39.06 84.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.716 -0.674 . . . . 15.0 111.441 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -61.52 -43.99 97.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.174 -0.466 . . . . 15.0 110.803 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 24.2 ttp85 -77.0 -36.86 56.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.39 -0.368 . . . . 15.0 110.717 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -58.53 -36.26 73.58 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.539 -0.541 . . . . 15.0 109.539 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.415 ' HG3' ' CE2' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -58.57 -52.91 63.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.459 -0.791 . . . . 15.0 110.279 179.262 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 130' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' B' ' 133' ' ' HIS . 6.2 m -67.89 -29.84 69.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.788 -0.642 . . . . 15.0 111.074 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -70.04 -42.65 72.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.819 -0.437 . . . . 15.0 109.819 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -32.26 66.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.065 -0.516 . . . . 15.0 110.179 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 133' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' B' ' 130' ' ' SER . 0.8 OUTLIER -60.17 -52.55 64.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.373 -0.83 . . . . 15.0 111.142 179.358 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 134' ' ' ASP . . . . . 0.577 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 0.7 OUTLIER -79.04 -26.07 43.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.053 -0.521 . . . . 15.0 111.903 -178.381 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -73.44 -30.1 62.99 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 121.143 -0.223 . . . . 15.0 111.502 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -68.81 -40.59 79.48 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.02 0.378 . . . . 15.0 112.02 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 137' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 13.9 ptpt -64.41 -29.08 70.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.19 0.519 . . . . 15.0 110.072 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -73.7 -32.58 64.0 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.154 -0.684 . . . . 15.0 109.154 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -68.15 -24.37 64.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.399 -0.819 . . . . 15.0 110.61 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -59.9 -56.46 21.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.384 -0.371 . . . . 15.0 111.104 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.13 -27.18 60.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.309 -0.405 . . . . 15.0 111.219 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 42.7 ttp85 -71.98 -55.59 7.17 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.921 -0.312 . . . . 15.0 110.598 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -62.08 -32.02 72.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.381 -0.372 . . . . 15.0 111.997 -179.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.01 -45.63 71.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 15.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -90.36 -38.32 13.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.1 -0.5 . . . . 15.0 111.182 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.13 -51.92 67.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.921 -0.581 . . . . 15.0 112.442 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.92 -30.66 70.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.733 0.302 . . . . 15.0 111.122 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -71.77 -23.09 61.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.398 0.618 . . . . 15.0 110.054 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 24.4 tp -91.35 -54.47 3.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.747 -0.661 . . . . 15.0 109.883 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -93.6 79.74 4.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.778 -0.647 . . . . 15.0 110.294 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -73.07 -16.55 61.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.858 -0.61 . . . . 15.0 111.274 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 . . . . . 0 C--O 1.245 0.819 0 CA-C-O 118.282 -0.866 . . . . 15.0 110.195 178.952 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.877 0.37 . . . . 15.0 111.304 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -116.83 114.43 23.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.377 -0.374 . . . . 15.0 110.361 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -158.53 175.25 13.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.329 -0.396 . . . . 15.0 111.114 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.3 m -149.35 144.13 26.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.119 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.1 mmt -113.42 166.36 11.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.502 -0.317 . . . . 15.0 110.311 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -88.25 97.69 11.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.101 0.408 . . . . 15.0 112.101 -178.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 50.85 -117.39 5.29 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.331 -0.85 . . . . 15.0 114.147 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.523 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -64.86 -24.87 67.67 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.475 0.31 . . . . 15.0 111.774 -179.206 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.02 49.09 49.96 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.643 -0.789 . . . . 15.0 112.071 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -65.04 -29.27 70.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.387 0.613 . . . . 15.0 110.31 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -94.47 26.92 3.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.62 -0.718 . . . . 15.0 110.656 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -74.68 109.66 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.701 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -113.28 18.9 17.5 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.688 -0.856 . . . . 15.0 108.688 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.6 155.44 33.11 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.253 -0.885 . . . . 15.0 112.669 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -96.33 106.03 18.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.027 0.442 . . . . 15.0 110.791 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.9 tt -159.07 129.82 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.92 -0.582 . . . . 15.0 109.75 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.1 21.9 12.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.17 -0.468 . . . . 15.0 111.222 -179.014 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -131.95 146.39 52.06 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.368 -0.378 . . . . 15.0 110.306 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.4 p -87.17 179.68 6.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -65.24 -22.49 66.88 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.876 0.37 . . . . 15.0 111.377 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 m -88.23 2.94 51.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.302 -0.408 . . . . 15.0 111.075 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.77 20.02 79.67 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.924 -0.655 . . . . 15.0 112.781 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.5 mt -91.92 150.71 20.88 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.642 -0.328 . . . . 15.0 110.296 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -71.91 138.82 48.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.121 -0.49 . . . . 15.0 111.508 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.596 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 8.0 t -95.01 138.91 32.11 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.78 -0.646 . . . . 15.0 110.43 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -83.43 149.25 26.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.989 -0.55 . . . . 15.0 109.851 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.559 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -73.39 139.8 46.16 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.28 -0.267 . . . . 15.0 110.28 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -66.63 -26.43 67.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.216 0.531 . . . . 15.0 110.758 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.01 -0.05 57.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.008 -0.542 . . . . 15.0 111.235 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.559 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 24.9 t -80.31 162.44 24.56 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.832 -0.803 . . . . 15.0 108.832 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -124.71 36.64 4.56 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.669 -0.412 . . . . 15.0 111.405 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.07 140.2 95.77 Favored Pre-proline 0 N--CA 1.453 -0.308 0 N-CA-C 105.66 -1.978 . . . . 15.0 105.66 176.533 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -71.64 98.6 0.88 Allowed 'Trans proline' 0 N--CA 1.456 -0.695 0 CA-C-N 120.416 1.184 . . . . 15.0 113.998 -175.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -124.04 164.16 19.96 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 113.214 -1.812 . . . . 15.0 107.827 175.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.62 112.39 21.55 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 107.889 -1.152 . . . . 15.0 107.889 176.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -171.39 179.2 3.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.478 0.656 . . . . 15.0 112.151 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -155.18 24.98 0.6 Allowed Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 109.848 -1.301 . . . . 15.0 109.848 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -90.3 113.01 24.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.993 -0.604 . . . . 15.0 111.74 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.3 mm -119.46 132.23 24.08 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 108.82 -0.808 . . . . 15.0 108.82 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -48.97 -32.71 23.93 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.199 2.599 . . . . 15.0 113.685 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -20.84 65.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.807 0.336 . . . . 15.0 111.609 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.408 ' C ' ' HD3' ' A' ' 48' ' ' PRO . 47.0 mtpt -88.46 -20.42 25.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.043 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.443 ' N ' ' HD3' ' A' ' 48' ' ' PRO . 8.3 m-85 -132.09 61.74 59.55 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.649 -0.251 . . . . 15.0 111.52 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 47' ' ' PHE . 4.4 Cg_exo -79.1 -21.19 9.5 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.443 2.095 . . . . 15.0 111.74 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -79.3 -11.74 59.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.6 -0.727 . . . . 15.0 111.081 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -106.05 9.73 32.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.964 0.411 . . . . 15.0 110.431 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.6 t30 51.3 60.75 3.64 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.318 -0.855 . . . . 15.0 111.501 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 tp -84.45 109.98 18.3 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.883 -0.784 . . . . 15.0 108.883 178.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -149.06 146.79 27.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.313 -0.403 . . . . 15.0 111.05 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 50.48 -138.94 0.95 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.636 -0.711 . . . . 15.0 111.714 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.3 p-10 -116.78 43.69 2.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.454 0.645 . . . . 15.0 110.799 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -88.56 141.06 28.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.633 -0.712 . . . . 15.0 110.728 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.8 t -67.52 129.78 40.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.039 -0.528 . . . . 15.0 109.632 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 mmt85 -138.87 167.25 22.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.687 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -127.68 86.05 59.3 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 109.722 -0.473 . . . . 15.0 109.722 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -87.99 -0.52 7.08 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.682 2.255 . . . . 15.0 113.637 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -107.97 -13.0 15.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.852 0.358 . . . . 15.0 110.728 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 67.08 33.85 5.42 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 109.275 -0.639 . . . . 15.0 109.275 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.39 -170.86 2.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.161 -0.927 . . . . 15.0 111.058 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 12' ' ' SER . 24.2 mt -49.42 -47.81 47.69 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 113.153 0.797 . . . . 15.0 113.153 -178.167 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -159.45 150.68 16.32 Favored Pre-proline 0 C--N 1.33 -0.281 0 C-N-CA 120.863 -0.335 . . . . 15.0 111.535 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.523 ' HD3' ' O ' ' A' ' 12' ' ' SER . 81.0 Cg_exo -47.64 140.8 16.38 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.319 2.679 . . . . 15.0 113.686 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 -137.53 175.79 9.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.012 -0.995 . . . . 15.0 109.834 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.596 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 1.1 p -164.28 159.98 20.52 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.638 0.256 . . . . 15.0 110.874 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -79.68 148.61 31.52 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.652 -0.499 . . . . 15.0 109.652 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.69 179.54 5.33 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.494 -0.321 . . . . 15.0 111.376 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.6 6.19 19.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.482 0.658 . . . . 15.0 110.534 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -106.15 122.62 41.64 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.586 -0.734 . . . . 15.0 109.507 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.78 -21.65 26.46 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.007 2.471 . . . . 15.0 113.653 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -79.48 -11.64 59.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.619 -0.264 . . . . 15.0 111.483 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.6 tptp -133.95 123.67 25.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.145 0.497 . . . . 15.0 110.409 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.07 -63.08 1.39 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.108 -0.496 . . . . 15.0 111.303 -178.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -147.24 150.85 35.65 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.51 -0.552 . . . . 15.0 109.51 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -135.47 163.36 30.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.267 0.555 . . . . 15.0 111.668 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -88.29 161.75 16.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.061 -0.972 . . . . 15.0 111.928 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.3 t -119.48 137.7 53.62 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.655 -0.869 . . . . 15.0 108.655 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -97.92 107.76 20.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.985 0.421 . . . . 15.0 111.144 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.6 mt -123.54 128.34 25.24 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.758 -0.656 . . . . 15.0 110.254 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.63 127.4 23.52 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.891 2.394 . . . . 15.0 113.04 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.95 168.09 9.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.774 -0.648 . . . . 15.0 110.418 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 23.0 m -76.59 150.16 36.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.672 0.272 . . . . 15.0 110.744 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.86 -22.16 46.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.114 -0.494 . . . . 15.0 111.578 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.649 -0.691 . . . . 15.0 110.984 -179.581 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 111.771 -0.532 . . . . 15.0 111.771 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 14.3 t -123.65 -167.68 1.66 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.412 -0.588 . . . . 15.0 109.412 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 2.8 p -72.05 88.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 122.265 1.031 . . . . 15.0 109.793 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -105.74 39.92 1.67 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.952 -1.022 . . . . 15.0 111.05 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -58.68 -45.7 88.85 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.7 -0.682 . . . . 15.0 110.984 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -84.16 62.56 7.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.269 -0.423 . . . . 15.0 110.148 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.455 ' O ' ' HB2' ' B' ' 111' ' ' GLU . 0.2 OUTLIER -66.27 -58.76 4.67 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.022 -0.535 . . . . 15.0 111.848 -179.088 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.35 -35.17 31.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.446 -0.343 . . . . 15.0 111.867 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.28 -49.84 75.44 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.136 -0.484 . . . . 15.0 111.748 -178.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.24 -25.89 58.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.717 0.294 . . . . 15.0 111.048 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 111' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' B' ' 107' ' ' THR . 38.8 tt0 -56.87 -50.19 73.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.011 -0.541 . . . . 15.0 110.683 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 42.4 mt -68.51 -39.32 81.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.806 -0.633 . . . . 15.0 110.62 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -62.11 -51.1 69.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.118 -0.492 . . . . 15.0 111.182 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -62.81 -42.84 99.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.715 -0.221 . . . . 15.0 110.654 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 14.4 tp -56.84 -50.94 70.91 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.16 -0.473 . . . . 15.0 110.308 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -65.74 -42.49 90.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.797 -0.638 . . . . 15.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -60.42 -39.84 88.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.525 -0.307 . . . . 15.0 111.091 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -67.08 -40.1 86.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.637 -0.256 . . . . 15.0 110.695 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.2 -37.95 69.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.175 0.512 . . . . 15.0 110.612 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.92 -19.0 60.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.259 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -58.5 -17.12 18.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 15.0 111.803 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -69.34 -56.0 8.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.543 -0.299 . . . . 15.0 111.076 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -153.54 -25.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.36 0.504 . . . . 15.0 112.36 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -80.91 15.83 1.67 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.729 0.3 . . . . 15.0 111.58 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 15.8 tp -65.0 -27.94 69.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.882 0.372 . . . . 15.0 110.587 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.492 ' HA ' ' HE3' ' B' ' 129' ' ' LYS . 62.5 mm-40 -66.33 -44.31 83.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.354 0.597 . . . . 15.0 109.598 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 66.8 ttp85 -70.32 -32.49 70.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.671 -0.695 . . . . 15.0 109.885 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.79 -39.93 93.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.481 -0.782 . . . . 15.0 110.038 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.492 ' HE3' ' HA ' ' B' ' 126' ' ' GLU . 21.5 mtmt -62.39 -55.91 23.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 15.0 110.868 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 14.7 m -60.6 -36.3 78.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.916 -0.584 . . . . 15.0 111.51 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -66.47 -36.94 84.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.419 -0.355 . . . . 15.0 110.669 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -30.55 69.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 15.0 110.826 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -67.3 -47.77 69.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.743 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 134' ' ' ASP . . . . . 0.596 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 18.2 t70 -73.19 -39.42 65.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.143 -0.481 . . . . 15.0 111.368 -178.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -62.98 -32.19 73.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.524 -0.307 . . . . 15.0 111.352 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.43 -46.74 78.74 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.921 0.341 . . . . 15.0 111.921 -178.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 137' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 6.3 ptpt -63.91 -27.9 69.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.759 0.314 . . . . 15.0 110.76 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -80.4 -34.75 36.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.246 0.546 . . . . 15.0 109.957 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -65.29 -41.09 94.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.539 -0.755 . . . . 15.0 110.891 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.55 -27.88 68.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.336 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.79 -35.98 62.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 15.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' B' ' 142' ' ' ARG . 15.7 ttp85 -82.54 -48.15 11.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.35 -0.386 . . . . 15.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -57.82 -27.09 62.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.995 -0.548 . . . . 15.0 112.308 -178.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -58.88 -45.04 91.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.865 0.364 . . . . 15.0 110.949 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.23 -34.64 15.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.253 -0.43 . . . . 15.0 110.841 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -59.35 -53.56 56.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.708 -0.678 . . . . 15.0 111.869 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.45 -20.89 62.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.253 0.549 . . . . 15.0 111.123 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -77.65 -34.53 53.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.847 -0.615 . . . . 15.0 110.392 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 11.8 tp -85.21 -45.37 12.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.942 -0.572 . . . . 15.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -112.74 107.72 16.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.262 -0.426 . . . . 15.0 110.599 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -69.37 -31.79 70.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 15.0 110.895 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.325 -0.845 . . . . 15.0 110.096 179.334 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.004 -0.369 . . . . 15.0 110.004 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -134.32 111.29 10.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.857 0.361 . . . . 15.0 111.076 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -152.01 167.07 29.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.237 -0.438 . . . . 15.0 110.647 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 69.6 m -147.8 139.69 24.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.469 . . . . 15.0 110.093 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 19.1 mmt -115.02 161.86 17.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.931 0.396 . . . . 15.0 111.321 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -77.79 97.03 5.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.726 -0.67 . . . . 15.0 111.517 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 46.73 -112.71 0.96 Allowed Glycine 0 C--N 1.333 0.391 0 CA-C-N 115.913 -0.585 . . . . 15.0 114.123 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.565 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -66.64 -29.89 70.03 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.096 0.406 . . . . 15.0 112.096 -178.844 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.6 59.47 8.18 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.925 -0.655 . . . . 15.0 112.098 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -35.37 71.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.033 0.444 . . . . 15.0 110.303 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -87.79 27.38 1.16 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.83 -0.623 . . . . 15.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -74.38 117.03 15.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.808 -0.633 . . . . 15.0 110.311 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -125.9 32.25 5.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.332 0.587 . . . . 15.0 110.007 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.81 161.64 54.28 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.451 -0.795 . . . . 15.0 112.275 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -90.21 104.99 17.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.044 0.449 . . . . 15.0 110.894 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 tt -159.22 128.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.703 -0.68 . . . . 15.0 109.923 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.32 25.48 6.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.883 -0.598 . . . . 15.0 110.58 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -131.9 152.85 50.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.852 -0.613 . . . . 15.0 110.266 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.7 p -92.04 175.62 6.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.302 -0.408 . . . . 15.0 110.919 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -67.04 -19.01 65.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.657 0.265 . . . . 15.0 111.076 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -88.96 -0.99 57.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.86 0.362 . . . . 15.0 110.964 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.83 21.38 66.12 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.879 -0.677 . . . . 15.0 112.558 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.3 mt -96.28 155.18 16.87 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.317 -0.253 . . . . 15.0 110.317 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -74.26 141.98 45.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.138 0.494 . . . . 15.0 111.16 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.636 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 36.9 t -91.41 138.57 31.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.771 -0.649 . . . . 15.0 110.792 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -85.14 146.16 27.26 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.071 -0.714 . . . . 15.0 109.071 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -71.74 142.97 49.76 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 121.122 -0.231 . . . . 15.0 110.466 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -66.02 -24.48 66.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.069 0.461 . . . . 15.0 110.882 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -104.07 13.79 31.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.062 -0.517 . . . . 15.0 110.959 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.504 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 30.5 t -70.47 166.6 20.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 15.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -122.78 17.38 10.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.903 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.0 m -66.32 144.48 98.72 Favored Pre-proline 0 C--O 1.235 0.319 0 N-CA-C 105.895 -1.891 . . . . 15.0 105.895 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.412 ' CG ' ' HB3' ' B' ' 102' ' ' SER . 2.9 Cg_endo -76.25 98.9 1.23 Allowed 'Trans proline' 0 N--CA 1.448 -1.175 0 CA-C-N 120.091 1.068 . . . . 15.0 114.285 -174.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.442 ' NE2' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -124.35 164.08 20.38 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 113.443 -1.708 . . . . 15.0 108.181 174.445 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.56 112.53 24.92 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 119.457 -0.897 . . . . 15.0 109.267 177.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -170.6 -177.5 2.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.669 0.271 . . . . 15.0 111.265 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.51 35.25 0.75 Allowed Glycine 0 C--N 1.33 0.236 0 C-N-CA 121.033 -0.603 . . . . 15.0 111.828 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -106.77 112.49 25.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.883 0.373 . . . . 15.0 110.805 -179.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.8 mm -116.59 136.56 23.18 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.813 -0.63 . . . . 15.0 109.477 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -50.47 -33.58 38.72 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.821 2.347 . . . . 15.0 112.859 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 m -68.08 -22.63 64.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.356 . . . . 15.0 111.065 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -90.2 -12.69 37.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 15.0 110.469 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -136.49 60.71 33.47 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.42 -11.37 15.86 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.236 1.957 . . . . 15.0 111.666 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.2 p-10 -89.93 -7.47 54.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.436 -0.802 . . . . 15.0 110.566 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -106.94 2.94 25.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 15.0 110.306 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 56.8 t30 53.88 54.91 9.08 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.465 -0.789 . . . . 15.0 111.856 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 mp -84.3 110.08 18.31 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.47 -0.567 . . . . 15.0 109.47 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -142.84 143.61 32.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.55 -0.295 . . . . 15.0 110.812 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 53.16 -136.44 1.37 Allowed 'General case' 0 CA--C 1.532 0.264 0 O-C-N 123.855 0.722 . . . . 15.0 111.762 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -121.43 46.65 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.186 0.517 . . . . 15.0 110.878 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -97.17 145.23 26.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.244 -0.435 . . . . 15.0 110.559 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 41.2 t -63.09 131.26 47.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 15.0 110.549 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -137.56 164.31 29.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 15.0 110.565 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -126.43 81.85 67.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.024 -0.732 . . . . 15.0 109.024 178.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -86.87 -2.44 8.14 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.537 2.158 . . . . 15.0 113.63 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.493 ' OD2' ' HG3' ' B' ' 129' ' ' LYS . 32.2 t70 -107.63 -11.94 15.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.716 0.293 . . . . 15.0 111.609 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' A' ' 62' ' ' ARG . 31.4 mtm105 65.63 32.29 9.28 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.474 -0.565 . . . . 15.0 109.474 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -78.04 -171.95 2.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.637 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.458 ' O ' ' HA ' ' A' ' 12' ' ' SER . 54.9 mt -50.72 -41.94 56.73 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.906 0.706 . . . . 15.0 112.906 -178.402 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.536 ' HD2' ' O ' ' A' ' 80' ' ' CYS . 17.4 ptt180 -162.87 149.55 10.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.559 0.219 . . . . 15.0 111.372 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.565 ' HD3' ' O ' ' A' ' 12' ' ' SER . 58.5 Cg_exo -50.5 148.5 15.01 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.298 2.665 . . . . 15.0 113.727 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -138.18 177.9 7.53 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.951 -1.022 . . . . 15.0 109.305 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.636 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -160.82 149.77 16.71 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 121.044 -0.263 . . . . 15.0 111.008 179.724 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.548 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 56.6 m-85 -74.78 146.14 42.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 15.0 110.051 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.58 158.95 16.14 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.582 -0.281 . . . . 15.0 110.829 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 p -90.32 -3.51 57.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.248 0.547 . . . . 15.0 110.705 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -76.51 126.56 86.04 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.382 -0.827 . . . . 15.0 110.657 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -62.07 -17.98 59.19 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.763 2.309 . . . . 15.0 113.197 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -94.56 1.41 55.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.321 -0.4 . . . . 15.0 111.828 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.33 119.04 6.11 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.952 -0.299 . . . . 15.0 110.637 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.504 HH22 ' HB3' ' B' ' 139' ' ' GLU . 34.3 mtm-85 -72.41 -43.88 63.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.445 -0.343 . . . . 15.0 110.821 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.548 ' HB3' ' CD1' ' A' ' 69' ' ' PHE . 51.9 p-90 -154.93 163.5 40.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.139 -0.482 . . . . 15.0 110.028 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -139.65 167.16 22.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.878 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -81.96 160.01 23.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.488 -0.778 . . . . 15.0 110.581 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.536 ' O ' ' HD2' ' A' ' 65' ' ' ARG . 7.4 t -119.4 143.26 47.55 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.351 -0.611 . . . . 15.0 109.351 178.436 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -103.47 108.91 20.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.99 0.424 . . . . 15.0 110.413 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.8 mt -127.98 129.49 23.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.828 -0.624 . . . . 15.0 109.895 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -65.35 126.65 16.66 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.661 2.24 . . . . 15.0 112.234 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.75 155.85 18.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.509 -0.314 . . . . 15.0 110.756 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 55.7 m -69.01 153.92 42.97 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.392 -0.367 . . . . 15.0 110.169 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.63 -26.08 63.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.195 0.521 . . . . 15.0 110.576 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.415 -0.802 . . . . 15.0 109.906 179.643 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 111.847 -0.501 . . . . 15.0 111.847 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 102' ' ' SER . . . . . 0.412 ' HB3' ' CG ' ' A' ' 37' ' ' PRO . 19.5 m -126.21 -177.87 4.12 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.915 -0.402 . . . . 15.0 109.915 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 5.2 p -72.58 101.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.778 0.799 . . . . 15.0 109.954 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -109.3 28.89 8.06 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.448 -0.796 . . . . 15.0 110.618 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -64.65 -42.09 95.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.71 -0.677 . . . . 15.0 110.725 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.478 ' HB3' ' HB2' ' B' ' 109' ' ' ASP . 2.6 mm? -96.55 62.98 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.879 -0.6 . . . . 15.0 110.386 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -43.44 98.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.008 -0.542 . . . . 15.0 111.554 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.65 -50.15 73.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.247 -0.433 . . . . 15.0 111.444 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 109' ' ' ASP . . . . . 0.478 ' HB2' ' HB3' ' B' ' 106' ' ' LEU . 14.2 m-20 -60.55 -43.7 96.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.255 -0.43 . . . . 15.0 111.159 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.13 -48.49 81.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.98 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -62.73 -47.57 82.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 15.0 111.322 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 92.2 mt -58.96 -42.03 88.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.519 -0.31 . . . . 15.0 111.316 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -70.14 -44.9 67.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.208 -0.451 . . . . 15.0 110.19 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -60.17 -47.29 86.57 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.708 -0.678 . . . . 15.0 111.104 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 32.4 tp -62.63 -45.41 92.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 15.0 110.525 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -62.99 -46.68 86.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.867 -0.606 . . . . 15.0 111.109 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -60.98 -38.52 86.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.229 -0.442 . . . . 15.0 110.691 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -66.12 -39.86 90.23 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.013 -0.539 . . . . 15.0 111.084 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.62 -32.24 62.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.032 0.444 . . . . 15.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -81.17 -18.44 46.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.825 -0.625 . . . . 15.0 111.561 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -51.4 -27.43 10.04 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.093 -0.503 . . . . 15.0 112.245 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -58.76 -63.09 1.42 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.545 -0.298 . . . . 15.0 111.367 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -148.9 -29.87 0.27 Allowed 'General case' 0 C--O 1.233 0.229 0 N-CA-C 111.777 0.288 . . . . 15.0 111.777 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.1 -1.47 2.18 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.395 -0.366 . . . . 15.0 111.835 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 14.7 tp -60.32 -23.84 64.52 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.052 0.454 . . . . 15.0 110.291 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.581 ' HA ' ' HE2' ' B' ' 129' ' ' LYS . 32.9 mm-40 -65.4 -43.93 89.09 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.761 -0.654 . . . . 15.0 109.674 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 62.6 ttp85 -81.15 -26.44 36.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.882 -0.599 . . . . 15.0 110.149 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -54.19 -50.5 66.92 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.604 -0.726 . . . . 15.0 111.074 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.581 ' HE2' ' HA ' ' B' ' 126' ' ' GLU . 23.4 pttt -67.76 -37.28 81.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.625 -0.261 . . . . 15.0 111.476 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 1.7 m -67.22 -38.63 85.57 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.387 0.613 . . . . 15.0 110.296 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -65.53 -32.67 74.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.619 -0.718 . . . . 15.0 110.002 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -43.38 71.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.684 -0.689 . . . . 15.0 110.965 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 133' ' ' HIS . . . . . 0.417 ' O ' ' HE3' ' B' ' 137' ' ' LYS . 51.2 m80 -57.6 -52.75 64.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.061 -0.518 . . . . 15.0 112.235 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.57 -29.03 62.17 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.052 0.39 . . . . 15.0 112.052 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -77.62 -38.7 47.47 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.335 0.494 . . . . 15.0 112.335 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -62.75 -44.49 96.06 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.879 0.326 . . . . 15.0 111.879 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 137' ' ' LYS . . . . . 0.417 ' HE3' ' O ' ' B' ' 133' ' ' HIS . 17.3 ptpt -61.84 -25.58 67.61 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.997 0.427 . . . . 15.0 110.669 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -85.59 -42.53 14.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.133 0.492 . . . . 15.0 109.702 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 139' ' ' GLU . . . . . 0.504 ' HB3' HH22 ' A' ' 76' ' ' ARG . 0.9 OUTLIER -58.68 -40.31 83.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.326 -0.852 . . . . 15.0 110.355 179.615 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.96 -33.36 74.16 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.947 -0.569 . . . . 15.0 111.307 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -72.6 -38.43 67.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.216 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -71.55 -47.74 53.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.829 -0.623 . . . . 15.0 110.41 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 143' ' ' LYS . . . . . 0.466 ' HE3' ' HG ' ' B' ' 106' ' ' LEU . 36.8 mmtm -61.0 -23.21 65.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.92 -0.582 . . . . 15.0 112.55 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -57.39 -54.2 49.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.979 0.419 . . . . 15.0 110.997 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -89.8 -28.23 19.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.155 -0.475 . . . . 15.0 111.387 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -63.71 -53.96 43.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.701 -0.227 . . . . 15.0 111.586 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -68.96 -26.26 64.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.021 0.439 . . . . 15.0 111.31 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -76.48 -39.28 53.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.234 -0.439 . . . . 15.0 110.543 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 5.3 tp -75.67 -56.62 4.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.064 -0.516 . . . . 15.0 110.39 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -87.83 110.89 20.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.787 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -84.69 -46.06 11.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.129 -0.487 . . . . 15.0 110.166 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.97 -0.538 . . . . 15.0 109.662 178.934 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.234 0 N-CA-C 110.089 -0.337 . . . . 15.0 110.089 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -141.92 115.66 9.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.681 0.277 . . . . 15.0 110.517 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -164.1 169.06 18.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.939 -0.573 . . . . 15.0 110.003 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.1 m -145.72 144.0 30.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.525 -0.307 . . . . 15.0 110.608 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.1 mmt -115.2 166.13 12.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.749 -0.205 . . . . 15.0 110.52 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -81.17 95.59 6.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.77 0.319 . . . . 15.0 111.171 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 47.56 -109.53 0.46 Allowed Glycine 0 CA--C 1.517 0.198 0 CA-C-N 115.456 -0.793 . . . . 15.0 114.07 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.7 m -71.63 -33.76 69.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.807 0.337 . . . . 15.0 111.24 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.19 61.38 4.28 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.549 -0.834 . . . . 15.0 112.024 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -63.76 -31.84 73.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.4 0.619 . . . . 15.0 110.336 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -96.02 28.39 3.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.285 -0.871 . . . . 15.0 111.029 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -67.16 109.18 2.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.951 0.405 . . . . 15.0 110.644 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -112.26 16.22 20.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.308 0.575 . . . . 15.0 110.141 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.47 145.66 48.92 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.655 -0.702 . . . . 15.0 111.762 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -83.53 105.76 14.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.001 0.429 . . . . 15.0 110.501 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.4 tt -155.88 133.42 2.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.769 -0.65 . . . . 15.0 109.899 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.99 35.82 4.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.209 0.528 . . . . 15.0 110.667 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -133.3 148.8 51.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.953 -0.567 . . . . 15.0 110.664 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.424 HG21 ' HB2' ' A' ' 78' ' ' GLU . 5.6 p -95.47 -175.87 3.6 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.855 -0.611 . . . . 15.0 110.421 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -64.89 -24.2 67.46 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.679 0.276 . . . . 15.0 111.309 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.01 3.34 51.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.971 0.415 . . . . 15.0 110.929 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.26 12.03 84.5 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.797 -0.716 . . . . 15.0 112.376 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.4 mt -73.03 153.74 40.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.854 0.359 . . . . 15.0 110.767 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.65 137.32 56.63 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.567 -0.742 . . . . 15.0 111.674 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.471 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 7.1 t -99.18 130.63 45.5 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.496 -0.774 . . . . 15.0 110.16 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -83.88 147.09 27.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.981 -0.554 . . . . 15.0 110.048 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.567 ' HB3' ' OG ' ' A' ' 34' ' ' SER . . . -72.28 148.88 45.0 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 120.904 0.383 . . . . 15.0 110.507 179.422 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -70.6 -19.96 62.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.162 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -103.51 12.01 35.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.897 -0.592 . . . . 15.0 111.514 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.567 ' OG ' ' HB3' ' A' ' 31' ' ' ALA . 57.7 m -75.08 142.84 43.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.745 0.307 . . . . 15.0 110.595 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -101.37 19.0 18.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.953 0.406 . . . . 15.0 110.962 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.61 144.27 97.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 N-CA-C 106.655 -1.609 . . . . 15.0 106.655 177.176 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -70.9 102.6 1.23 Allowed 'Trans proline' 0 N--CA 1.456 -0.684 0 CA-C-N 120.397 1.177 . . . . 15.0 112.663 -177.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -119.69 163.17 17.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.088 -1.415 . . . . 15.0 108.373 176.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.81 111.86 24.75 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.308 -0.997 . . . . 15.0 108.308 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -172.48 -176.46 1.55 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.049 0.452 . . . . 15.0 111.168 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -146.79 33.32 1.4 Allowed Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.577 -0.738 . . . . 15.0 111.513 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -113.03 105.13 13.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.067 0.46 . . . . 15.0 111.584 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.9 mm -106.11 134.75 19.62 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.067 -0.716 . . . . 15.0 109.067 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -51.42 -31.58 39.15 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.043 2.496 . . . . 15.0 113.741 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -75.44 -8.83 57.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.949 0.404 . . . . 15.0 111.621 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -92.95 -22.37 19.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 15.0 110.28 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -134.0 64.55 66.81 Favored Pre-proline 0 C--O 1.235 0.333 0 CA-C-N 116.125 -0.489 . . . . 15.0 110.666 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.44 -10.89 18.98 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.207 1.938 . . . . 15.0 112.223 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -85.19 -20.36 30.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 15.0 111.024 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -92.45 3.19 55.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.064 0.459 . . . . 15.0 110.632 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.6 t30 54.7 60.8 3.29 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 114.987 -1.006 . . . . 15.0 112.11 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.59 109.23 19.5 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.877 -0.786 . . . . 15.0 108.877 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -146.25 144.83 30.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.447 -0.342 . . . . 15.0 110.417 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt 55.08 -146.39 0.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.789 0.681 . . . . 15.0 112.198 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.522 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 29.9 p-10 -113.18 38.15 2.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.034 0.445 . . . . 15.0 111.722 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -90.94 141.68 28.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.242 -0.435 . . . . 15.0 110.354 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 10.6 t -59.14 129.63 43.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.319 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 58' ' ' ARG . 3.1 mmp_? -136.57 169.86 17.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.146 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -142.58 85.22 10.48 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.263 0.554 . . . . 15.0 110.083 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -87.04 -3.89 7.95 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 122.439 2.092 . . . . 15.0 112.377 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.572 ' OD1' ' HB3' ' A' ' 63' ' ' ASP . 24.7 t70 -91.48 -24.81 19.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.251 -0.432 . . . . 15.0 110.779 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.0 mtm105 73.77 25.04 2.04 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.675 -0.693 . . . . 15.0 109.824 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.572 ' HB3' ' OD1' ' A' ' 61' ' ' ASP . 2.3 p-10 -75.65 -171.92 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.749 -0.66 . . . . 15.0 112.149 -179.034 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.6 mp -56.84 -36.31 69.86 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.403 1.26 . . . . 15.0 114.403 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.429 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 17.4 ptt180 -157.13 148.53 16.91 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 118.648 0.658 . . . . 15.0 112.244 -178.297 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 65' ' ' ARG . 31.1 Cg_exo -58.67 148.55 81.81 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.966 2.444 . . . . 15.0 112.608 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 18.1 p-90 -144.17 176.53 9.25 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.433 -0.803 . . . . 15.0 110.05 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.471 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -159.77 155.86 26.61 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.208 -0.451 . . . . 15.0 110.191 179.364 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -77.81 135.26 37.93 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.307 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.81 149.45 21.83 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.22 -16.56 45.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.238 -0.437 . . . . 15.0 111.235 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.442 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -64.35 126.93 91.5 Favored Pre-proline 0 C--N 1.332 -0.161 0 CA-C-N 116.024 -0.535 . . . . 15.0 110.694 -179.559 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 35.1 Cg_exo -59.77 -11.64 15.42 Favored 'Trans proline' 0 CA--C 1.535 0.561 0 C-N-CA 123.191 2.594 . . . . 15.0 114.921 -178.415 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -102.25 -5.07 24.73 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.138 0.421 . . . . 15.0 112.138 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -133.09 132.49 41.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.137 0.494 . . . . 15.0 111.33 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 76' ' ' ARG . 0.9 OUTLIER -84.19 -58.81 2.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.214 0.53 . . . . 15.0 110.083 179.752 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 24.1 p-90 -148.67 145.11 27.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.741 -0.663 . . . . 15.0 109.768 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.424 ' HB2' HG21 ' A' ' 23' ' ' THR . 15.9 mm-40 -128.07 148.46 50.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.316 -0.402 . . . . 15.0 110.247 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -79.12 159.49 27.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.05 -0.523 . . . . 15.0 110.744 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.1 t -121.67 133.42 54.96 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.217 -0.66 . . . . 15.0 109.217 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -96.0 113.86 25.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.825 0.345 . . . . 15.0 110.526 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.0 mt -119.85 129.75 25.19 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.907 -0.588 . . . . 15.0 109.736 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -49.43 123.39 10.23 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.113 2.542 . . . . 15.0 112.809 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -104.98 167.35 9.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.822 -0.626 . . . . 15.0 110.624 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 10.4 m -82.71 157.72 23.19 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.733 -0.469 . . . . 15.0 109.733 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.5 -41.96 68.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.873 0.368 . . . . 15.0 110.361 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.423 -0.799 . . . . 15.0 110.411 179.65 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.828 -0.509 . . . . 15.0 111.828 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.0 t -144.46 -150.66 0.33 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.481 -0.563 . . . . 15.0 109.481 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 4.2 p -74.03 76.92 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 122.414 1.102 . . . . 15.0 110.109 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.28 -8.28 48.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.153 -0.93 . . . . 15.0 111.2 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -60.5 -38.59 84.82 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.164 0.507 . . . . 15.0 110.257 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -85.5 73.5 10.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.688 -0.687 . . . . 15.0 109.269 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.61 -65.72 0.96 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.075 -0.511 . . . . 15.0 111.838 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.61 -49.43 77.53 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.605 0.594 . . . . 15.0 112.605 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -61.68 -45.94 91.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.505 -0.316 . . . . 15.0 111.624 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.37 90.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.577 -0.283 . . . . 15.0 110.98 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -62.0 -53.53 54.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.042 -0.527 . . . . 15.0 110.523 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.66 -43.09 99.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.09 -0.505 . . . . 15.0 111.067 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -63.17 -46.31 87.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 15.0 111.078 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -66.23 -44.51 83.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.502 -0.317 . . . . 15.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 16.9 tp -55.85 -51.22 68.27 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.74 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -65.44 -41.34 93.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.898 -0.592 . . . . 15.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -61.77 -45.66 92.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.453 -0.339 . . . . 15.0 110.812 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -58.89 -38.05 77.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.969 0.414 . . . . 15.0 111.481 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.84 -41.04 53.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.987 0.422 . . . . 15.0 110.577 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.33 -24.95 63.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.913 -0.585 . . . . 15.0 111.843 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -56.46 -17.49 8.36 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.111 0.411 . . . . 15.0 112.111 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -60.84 -65.76 0.64 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 120.711 0.291 . . . . 15.0 110.418 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -145.1 -18.53 0.5 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.708 0.289 . . . . 15.0 111.776 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -84.0 11.95 7.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.699 -0.228 . . . . 15.0 111.116 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 23.9 tp -59.84 -32.8 71.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.877 0.37 . . . . 15.0 111.126 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -65.37 -40.05 93.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 15.0 110.462 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 -82.15 -28.55 32.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.268 -0.424 . . . . 15.0 110.445 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -58.87 -50.38 74.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.911 -0.586 . . . . 15.0 110.718 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' B' ' 130' ' ' SER . 1.0 OUTLIER -62.31 -33.8 75.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 15.0 110.974 -179.057 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 130' ' ' SER . . . . . 0.44 ' N ' ' HG2' ' B' ' 129' ' ' LYS . 52.2 m -77.22 -34.57 56.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.931 0.396 . . . . 15.0 110.592 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -46.87 82.26 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.288 -0.634 . . . . 15.0 109.288 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -64.02 -32.81 74.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.426 -0.806 . . . . 15.0 110.364 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.55 -43.3 93.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.062 -0.517 . . . . 15.0 110.702 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 134' ' ' ASP . . . . . 0.54 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 30.3 t70 -82.29 -27.06 32.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.097 0.475 . . . . 15.0 111.294 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -74.66 -41.99 59.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.091 -0.504 . . . . 15.0 111.311 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 136' ' ' ASP . . . . . 0.423 ' HA ' ' HB2' ' B' ' 139' ' ' GLU . 0.4 OUTLIER -64.41 -36.08 82.98 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.145 0.424 . . . . 15.0 112.145 -178.857 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 137' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 7.3 ptpt -65.53 -28.08 68.92 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.109 0.481 . . . . 15.0 110.502 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -85.75 -38.79 17.87 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 108.942 -0.762 . . . . 15.0 108.942 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 139' ' ' GLU . . . . . 0.423 ' HB2' ' HA ' ' B' ' 136' ' ' ASP . 0.3 OUTLIER -56.95 -33.28 66.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.622 -1.172 . . . . 15.0 110.801 179.294 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.17 -50.41 67.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 15.0 111.411 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.07 -40.86 67.98 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.331 -0.395 . . . . 15.0 110.648 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -59.52 -46.41 88.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.963 0.411 . . . . 15.0 110.368 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -66.05 -30.52 71.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.013 -0.54 . . . . 15.0 111.014 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 144' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' B' ' 148' ' ' LYS . . . -58.33 -38.92 78.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.57 -0.287 . . . . 15.0 111.043 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 145' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' B' ' 145' ' ' LEU . 2.3 mm? -90.86 -43.68 9.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.888 0.375 . . . . 15.0 111.161 179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -61.21 -55.07 36.38 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.47 0.544 . . . . 15.0 112.47 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.1 -22.0 65.83 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.97 0.414 . . . . 15.0 111.572 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 148' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' B' ' 144' ' ' ALA . 76.7 tttt -79.7 -36.73 37.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.219 -0.446 . . . . 15.0 110.961 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 50.1 tp -81.32 -49.2 11.0 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.221 -0.445 . . . . 15.0 110.749 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -85.77 113.9 22.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.129 -0.487 . . . . 15.0 110.023 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -90.17 -9.8 46.84 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.155 -0.475 . . . . 15.0 110.525 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.815 -0.612 . . . . 15.0 109.94 179.246 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 m . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 109.833 -0.432 . . . . 15.0 109.833 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -137.11 122.37 19.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.406 -0.361 . . . . 15.0 110.441 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -160.43 157.96 28.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.322 -0.399 . . . . 15.0 110.83 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.3 m -134.99 154.33 51.77 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.102 -0.499 . . . . 15.0 109.794 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 19.6 mmt -114.56 163.11 15.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.654 0.264 . . . . 15.0 110.71 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -85.18 96.96 9.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.099 -0.501 . . . . 15.0 111.58 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.64 -108.74 0.5 Allowed Glycine 0 C--N 1.331 0.286 0 CA-C-N 115.401 -0.818 . . . . 15.0 114.293 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.7 t -72.3 -45.12 61.38 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 122.459 0.304 . . . . 15.0 111.215 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.6 50.17 4.09 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.326 -0.94 . . . . 15.0 111.744 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -66.03 -36.8 84.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.356 0.598 . . . . 15.0 110.052 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -95.82 28.09 3.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.332 -0.849 . . . . 15.0 111.241 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -70.59 108.05 4.17 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.997 0.427 . . . . 15.0 110.197 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -107.66 31.97 5.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.498 0.666 . . . . 15.0 109.297 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.13 160.9 46.74 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.454 -0.794 . . . . 15.0 112.351 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -92.67 111.06 22.52 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.889 0.375 . . . . 15.0 110.467 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 57' ' ' CYS . 14.1 tt -162.05 132.71 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.043 -0.526 . . . . 15.0 109.844 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.96 22.74 4.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.249 -0.432 . . . . 15.0 110.991 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -132.05 135.04 46.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.331 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.41 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 21.8 p -76.95 -175.33 3.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.3 -0.409 . . . . 15.0 111.13 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -62.13 -29.14 70.13 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.724 0.297 . . . . 15.0 111.26 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.36 1.87 53.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.821 0.343 . . . . 15.0 111.014 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.01 15.14 81.53 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.834 -0.698 . . . . 15.0 112.911 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 42.3 mt -78.17 149.79 33.68 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.019 -0.363 . . . . 15.0 110.019 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -74.82 130.9 40.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.159 0.504 . . . . 15.0 111.451 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.697 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 17.3 t -82.92 140.36 32.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.681 -0.691 . . . . 15.0 111.024 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -85.6 145.17 27.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.639 -0.71 . . . . 15.0 109.281 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.744 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -69.54 137.67 52.64 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.097 -0.334 . . . . 15.0 110.097 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -63.27 -23.02 67.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.049 0.452 . . . . 15.0 110.663 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -102.02 6.96 41.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.065 -0.516 . . . . 15.0 111.472 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.744 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 23.8 t -86.19 138.93 31.51 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.9 -0.407 . . . . 15.0 109.9 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -94.0 36.89 1.1 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.023 0.439 . . . . 15.0 111.785 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.1 140.24 95.71 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 105.387 -2.079 . . . . 15.0 105.387 176.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -73.9 99.16 1.13 Allowed 'Trans proline' 0 N--CA 1.452 -0.946 0 CA-C-N 120.732 1.297 . . . . 15.0 113.511 -176.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.35 164.24 18.31 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 113.304 -1.771 . . . . 15.0 108.144 175.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.27 110.93 23.02 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.883 -1.154 . . . . 15.0 107.883 176.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -172.32 -176.29 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.724 0.297 . . . . 15.0 111.118 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -147.6 31.02 1.39 Allowed Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.467 -0.653 . . . . 15.0 111.467 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -94.31 114.52 26.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.937 0.398 . . . . 15.0 110.849 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.451 HG22 ' H ' ' A' ' 45' ' ' SER . 49.5 mm -116.19 131.76 23.62 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.06 -0.718 . . . . 15.0 109.06 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -52.09 -37.55 68.99 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.735 2.29 . . . . 15.0 112.832 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.451 ' H ' HG22 ' A' ' 43' ' ' ILE . 23.5 m -72.51 -14.48 61.66 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.349 -0.387 . . . . 15.0 111.458 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.432 ' HD3' ' HB ' ' A' ' 43' ' ' ILE . 50.5 mtpt -86.21 -23.15 26.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 15.0 110.683 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -132.16 61.54 58.27 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 116.241 -0.436 . . . . 15.0 111.13 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.32 -13.59 20.72 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.129 1.886 . . . . 15.0 111.665 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -82.08 -11.16 58.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.494 -0.775 . . . . 15.0 111.023 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -108.3 9.23 27.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.231 0.539 . . . . 15.0 110.351 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.8 t30 50.9 59.53 4.54 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 114.946 -1.025 . . . . 15.0 112.532 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.6 mp -81.34 111.01 17.32 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.148 -0.686 . . . . 15.0 109.148 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -141.55 133.78 27.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.841 0.353 . . . . 15.0 111.465 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 51.99 -134.19 1.68 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.293 -0.867 . . . . 15.0 111.827 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -115.32 40.92 2.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.426 0.631 . . . . 15.0 110.873 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -91.85 136.93 32.78 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.835 -0.621 . . . . 15.0 110.353 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.443 ' HB3' HG23 ' A' ' 20' ' ' ILE . 45.0 t -63.15 132.42 51.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.921 -0.581 . . . . 15.0 111.048 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -139.72 163.97 31.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.509 -0.769 . . . . 15.0 109.93 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -124.68 82.55 59.63 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 108.441 -0.948 . . . . 15.0 108.441 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.47 -10.75 14.59 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.48 2.12 . . . . 15.0 113.883 -177.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.487 ' OD2' ' HB3' ' B' ' 129' ' ' LYS . 8.0 t70 -110.18 0.97 18.44 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.087 -0.645 . . . . 15.0 112.365 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 56.57 37.51 28.88 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.147 -0.479 . . . . 15.0 111.109 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -80.9 -170.09 2.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.301 -0.409 . . . . 15.0 111.014 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 89.0 mt -50.61 -42.44 56.01 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.537 0.94 . . . . 15.0 113.537 -178.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.452 ' HD3' ' O ' ' A' ' 80' ' ' CYS . 12.0 ptp180 -157.89 148.92 16.41 Favored Pre-proline 0 C--N 1.33 -0.244 0 C-N-CA 120.629 -0.428 . . . . 15.0 111.885 -178.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.431 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 13.9 Cg_endo -57.77 146.06 87.39 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.819 2.346 . . . . 15.0 112.574 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 21.7 p-90 -146.04 -176.04 4.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.472 -0.786 . . . . 15.0 109.618 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.697 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 1.1 p -166.93 155.02 9.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.509 -0.314 . . . . 15.0 110.657 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -73.26 143.63 46.98 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.803 -0.443 . . . . 15.0 109.803 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.93 176.87 6.09 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.489 -0.323 . . . . 15.0 111.598 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.24 5.17 19.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.595 0.712 . . . . 15.0 109.735 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.411 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 1.6 m-20 -84.71 130.25 53.81 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 114.844 -1.071 . . . . 15.0 110.341 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 18.9 Cg_exo -65.22 -13.43 39.72 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.432 2.088 . . . . 15.0 112.734 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -108.37 1.55 21.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.407 -0.361 . . . . 15.0 111.681 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -132.31 114.9 14.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.683 0.278 . . . . 15.0 110.751 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -68.67 -63.73 1.0 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.331 0.586 . . . . 15.0 110.098 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 45.1 p-90 -156.24 146.15 21.19 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.641 -0.709 . . . . 15.0 109.443 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -127.1 159.88 32.86 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.866 0.365 . . . . 15.0 110.641 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -82.67 162.33 21.86 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.723 -0.671 . . . . 15.0 110.656 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.452 ' O ' ' HD3' ' A' ' 65' ' ' ARG . 79.5 m -117.79 149.38 40.89 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.824 -0.806 . . . . 15.0 108.824 178.191 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -110.89 110.5 21.12 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.986 0.422 . . . . 15.0 111.488 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.2 mt -127.11 130.74 23.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.096 -0.502 . . . . 15.0 109.97 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.14 126.04 19.16 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 122.857 2.372 . . . . 15.0 113.001 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.06 161.61 14.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.095 -0.502 . . . . 15.0 110.017 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 59.7 m -66.13 158.43 28.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.613 -0.267 . . . . 15.0 110.582 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.11 86.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.448 -0.342 . . . . 15.0 111.24 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.595 -0.717 . . . . 15.0 110.642 179.659 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 111.744 -0.543 . . . . 15.0 111.744 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 22.4 m -85.44 -176.25 6.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.609 0.242 . . . . 15.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 3.3 p -67.26 102.46 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-O 121.743 0.783 . . . . 15.0 111.274 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -121.19 23.64 10.43 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.503 -0.772 . . . . 15.0 109.814 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -59.25 -55.8 30.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.375 -0.83 . . . . 15.0 110.446 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' B' ' 106' ' ' LEU . 2.1 mm? -100.76 64.7 1.1 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.801 -0.636 . . . . 15.0 109.355 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -37.91 89.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.461 -0.79 . . . . 15.0 111.714 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.69 -39.12 93.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.108 0.48 . . . . 15.0 110.765 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.62 -36.74 84.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.724 -0.671 . . . . 15.0 110.606 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.42 -42.02 59.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.752 -0.658 . . . . 15.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.56 -51.03 71.6 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.017 -0.538 . . . . 15.0 111.059 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 86.4 mt -55.09 -49.15 72.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 15.0 111.363 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -68.53 -34.59 76.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.148 -0.478 . . . . 15.0 111.816 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -64.61 -49.84 69.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.692 0.282 . . . . 15.0 110.273 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 21.1 tp -62.48 -44.47 96.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 15.0 110.502 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -60.44 -46.29 90.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.776 -0.647 . . . . 15.0 110.707 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -63.34 -43.58 97.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.438 -0.801 . . . . 15.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -56.48 -48.15 77.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.229 -0.441 . . . . 15.0 111.345 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.58 -36.48 82.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.028 -0.533 . . . . 15.0 111.346 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.65 -30.68 63.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.226 -0.443 . . . . 15.0 111.98 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -54.26 -20.34 6.88 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.801 0.667 . . . . 15.0 112.801 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -69.69 -42.19 74.42 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.173 -0.211 . . . . 15.0 111.28 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 123' ' ' ALA . . . . . 0.408 ' C ' ' H ' ' B' ' 125' ' ' LEU . . . -156.79 -43.54 0.07 Allowed 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.055 0.391 . . . . 15.0 112.055 -178.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -72.97 20.46 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.374 0.509 . . . . 15.0 112.374 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.408 ' H ' ' C ' ' B' ' 123' ' ' ALA . 30.5 tp -65.65 -31.96 73.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.851 0.358 . . . . 15.0 110.803 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -68.56 -44.34 74.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.238 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 55.2 ttp85 -71.4 -34.78 70.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.265 -0.425 . . . . 15.0 110.292 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.38 -40.32 82.03 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.45 0.643 . . . . 15.0 109.434 178.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.487 ' HB3' ' OD2' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -60.49 -48.6 81.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.192 -0.913 . . . . 15.0 110.456 179.236 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m -67.74 -34.04 76.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.791 -0.64 . . . . 15.0 111.224 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.63 -44.66 81.41 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.791 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 132' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' B' ' 136' ' ' ASP . 0.0 OUTLIER -57.54 -37.67 73.46 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 110.007 -0.368 . . . . 15.0 110.007 179.38 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 133' ' ' HIS . . . . . 0.404 ' O ' ' HE3' ' B' ' 137' ' ' LYS . 0.6 OUTLIER -55.42 -45.97 76.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.571 -0.74 . . . . 15.0 110.891 179.494 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -85.13 -27.07 26.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.043 -0.526 . . . . 15.0 111.977 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -77.14 -43.79 32.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.519 -0.309 . . . . 15.0 111.756 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 136' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' B' ' 132' ' ' ARG . 0.3 OUTLIER -63.8 -40.65 97.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.501 -0.318 . . . . 15.0 111.303 -178.783 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 137' ' ' LYS . . . . . 0.404 ' HE3' ' O ' ' B' ' 133' ' ' HIS . 8.7 ptpt -64.79 -24.26 67.5 Favored 'General case' 0 C--O 1.227 -0.124 0 CA-C-O 120.949 0.404 . . . . 15.0 110.233 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -83.56 -35.18 24.94 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.121 -0.696 . . . . 15.0 109.121 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -66.66 -28.94 68.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.097 -0.956 . . . . 15.0 110.989 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -52.11 -43.57 64.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.144 -0.48 . . . . 15.0 111.819 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.07 -43.76 33.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 15.0 111.204 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 52.2 ttp85 -62.91 -46.81 86.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.428 -0.351 . . . . 15.0 111.498 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -62.77 -31.19 72.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.584 -0.28 . . . . 15.0 111.681 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -56.74 -43.9 81.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.415 -0.357 . . . . 15.0 111.641 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -89.72 -34.21 16.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.779 0.323 . . . . 15.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.06 -52.09 66.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.01 -0.541 . . . . 15.0 111.581 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -69.92 -24.54 63.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.3 -0.409 . . . . 15.0 111.183 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -73.29 -40.31 64.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.149 -0.478 . . . . 15.0 110.624 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 20.8 tp -78.34 -56.18 4.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.355 -0.384 . . . . 15.0 110.771 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -74.58 116.35 15.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.13 -0.322 . . . . 15.0 110.13 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -96.82 -12.01 24.15 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.033 -0.267 . . . . 15.0 111.086 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.706 -0.664 . . . . 15.0 110.026 179.553 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 120.719 0.295 . . . . 15.0 110.322 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.8 m -121.55 169.6 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.739 -0.467 . . . . 15.0 109.739 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -91.12 -38.74 12.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.879 0.371 . . . . 15.0 110.966 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -103.77 94.95 5.71 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.96 -0.296 . . . . 15.0 110.355 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.24 147.46 22.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.257 -0.429 . . . . 15.0 110.453 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -133.59 101.53 5.16 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.368 -0.378 . . . . 15.0 110.971 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -153.34 173.35 15.72 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.905 -0.405 . . . . 15.0 109.905 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.2 m -144.31 155.76 43.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.365 -0.379 . . . . 15.0 110.547 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 19.8 mmt -114.78 161.7 17.84 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.837 0.351 . . . . 15.0 111.083 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -88.14 97.8 11.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.881 -0.599 . . . . 15.0 111.376 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.32 -116.89 3.87 Favored Glycine 0 C--N 1.331 0.299 0 CA-C-N 115.58 -0.736 . . . . 15.0 113.871 178.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.527 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -66.4 -40.56 89.71 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.998 0.428 . . . . 15.0 111.011 -179.515 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.53 53.57 4.31 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.685 -0.769 . . . . 15.0 112.594 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -76.87 -18.59 58.24 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.312 -0.625 . . . . 15.0 109.312 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -101.02 22.23 12.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.123 -0.944 . . . . 15.0 109.994 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -70.75 118.82 14.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.81 -0.632 . . . . 15.0 111.088 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -117.89 10.62 13.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.939 -0.573 . . . . 15.0 109.789 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.53 149.83 42.61 Favored Glycine 0 C--O 1.237 0.309 0 CA-C-N 115.686 -0.688 . . . . 15.0 113.034 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -90.45 113.3 25.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.265 0.555 . . . . 15.0 111.556 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.415 HG12 ' H ' ' A' ' 22' ' ' LYS . 17.2 tt -163.9 131.63 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.407 -0.815 . . . . 15.0 109.311 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.4 p -122.87 31.29 6.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.909 0.385 . . . . 15.0 111.247 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.415 ' H ' HG12 ' A' ' 20' ' ' ILE . 46.7 mtmt -133.6 147.16 51.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.263 -0.426 . . . . 15.0 110.857 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.6 p -83.65 -177.94 6.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.994 -0.548 . . . . 15.0 110.502 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -73.84 -13.61 60.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.245 0.545 . . . . 15.0 109.899 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.71 3.88 47.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.588 -0.733 . . . . 15.0 110.637 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.8 23.92 71.09 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.662 -0.699 . . . . 15.0 112.775 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.8 mt -90.02 150.39 22.13 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.133 -0.321 . . . . 15.0 110.133 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -76.48 134.18 39.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.585 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.687 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 33.0 t -86.7 142.16 28.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.22 0.533 . . . . 15.0 111.243 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -86.76 146.43 26.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.505 -0.771 . . . . 15.0 109.657 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.705 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -68.87 139.31 55.16 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.004 -0.369 . . . . 15.0 110.004 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -65.19 -29.68 70.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.418 -0.356 . . . . 15.0 111.395 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -99.71 13.88 32.09 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.549 -0.296 . . . . 15.0 111.383 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.705 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -81.0 178.78 8.21 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.901 -0.407 . . . . 15.0 109.901 179.108 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -141.9 38.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.451 -0.5 . . . . 15.0 112.199 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.55 158.81 81.28 Favored Pre-proline 0 C--O 1.236 0.374 0 N-CA-C 105.485 -2.043 . . . . 15.0 105.485 175.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -72.96 96.39 0.86 Allowed 'Trans proline' 0 N--CA 1.455 -0.774 0 CA-C-N 122.026 1.759 . . . . 15.0 112.255 -177.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.28 162.44 24.71 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 113.676 -1.602 . . . . 15.0 110.185 177.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.69 112.16 25.02 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.182 -1.414 . . . . 15.0 107.182 174.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 -170.11 165.69 9.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.187 0.518 . . . . 15.0 111.91 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -137.29 21.6 3.27 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 110.867 -0.893 . . . . 15.0 110.867 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -88.53 78.31 7.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.467 -0.367 . . . . 15.0 110.957 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.9 mm -84.46 127.96 63.66 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.827 -0.435 . . . . 15.0 109.827 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.17 -33.03 52.51 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.963 2.442 . . . . 15.0 113.146 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.03 -20.09 64.96 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.416 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -83.36 -23.02 32.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 15.0 110.568 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -133.22 63.86 67.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 15.0 110.81 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.79 -14.97 26.93 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 121.861 1.707 . . . . 15.0 111.363 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -75.38 -21.91 57.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.313 -0.858 . . . . 15.0 111.233 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -96.65 6.17 49.24 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.947 -0.301 . . . . 15.0 111.535 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.6 t30 51.56 61.92 2.98 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.842 0.682 . . . . 15.0 112.842 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.6 mp -84.79 109.82 18.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.521 -0.918 . . . . 15.0 108.521 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -141.33 146.67 36.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.56 0.219 . . . . 15.0 110.947 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt 53.54 -134.74 1.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.951 0.782 . . . . 15.0 111.371 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -124.87 39.55 3.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.363 0.602 . . . . 15.0 110.333 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -91.68 141.73 28.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.014 -0.539 . . . . 15.0 110.382 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.5 t -59.52 131.02 49.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 15.0 111.085 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -138.75 168.22 20.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.896 -0.593 . . . . 15.0 109.794 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -138.69 88.35 14.14 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-O 120.895 0.379 . . . . 15.0 110.378 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -85.05 -5.52 9.58 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.497 2.131 . . . . 15.0 112.792 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' B' ' 129' ' ' LYS . 33.3 t70 -96.98 -24.13 15.96 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.157 -0.217 . . . . 15.0 111.397 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.4 mtm180 70.57 34.25 2.19 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.411 0.624 . . . . 15.0 109.93 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -80.91 -167.99 1.62 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.197 -0.91 . . . . 15.0 110.893 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.1 mt -47.68 -48.46 29.13 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.215 0.821 . . . . 15.0 113.215 -178.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -158.89 153.55 20.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 C-N-CA 120.687 -0.405 . . . . 15.0 111.29 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.527 ' HD3' ' O ' ' A' ' 12' ' ' SER . 51.9 Cg_exo -54.45 146.22 53.37 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.074 2.516 . . . . 15.0 113.563 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 -138.39 177.81 7.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.106 -0.952 . . . . 15.0 109.402 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.687 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 4.7 p -163.25 154.91 17.45 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.477 -0.329 . . . . 15.0 110.771 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -78.71 145.54 34.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.211 -0.45 . . . . 15.0 109.952 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 p -100.42 154.68 18.32 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.878 0.37 . . . . 15.0 111.621 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.49 8.15 29.46 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.196 0.522 . . . . 15.0 110.792 178.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -103.94 122.95 42.66 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.035 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -60.46 -16.64 43.16 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.987 2.458 . . . . 15.0 113.603 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.38 -17.89 59.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.564 0.221 . . . . 15.0 110.752 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -130.5 152.82 49.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.878 0.371 . . . . 15.0 110.899 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -99.02 -63.36 1.13 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.228 0.537 . . . . 15.0 110.042 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 32.4 p-90 -147.39 144.09 28.44 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.57 -0.741 . . . . 15.0 109.169 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -130.8 155.02 47.39 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.772 0.32 . . . . 15.0 110.363 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -82.95 161.88 21.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.828 -0.624 . . . . 15.0 110.946 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 5.9 t -117.32 139.46 50.81 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.955 -0.758 . . . . 15.0 108.955 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -100.91 110.94 23.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.245 -0.434 . . . . 15.0 111.125 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.98 135.32 26.62 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.883 -0.598 . . . . 15.0 110.017 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -58.88 123.4 13.43 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.648 2.232 . . . . 15.0 112.145 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -104.83 156.05 18.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.414 -0.357 . . . . 15.0 110.61 -179.59 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 66.7 m -67.62 151.07 47.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.216 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.54 -49.13 70.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.133 0.492 . . . . 15.0 109.803 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.693 -0.67 . . . . 15.0 109.724 179.196 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.849 0 N-CA-C 112.007 -0.437 . . . . 15.0 112.007 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 2.9 t -136.58 -167.58 2.09 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.698 -0.482 . . . . 15.0 109.698 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 3.8 p -82.72 91.35 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.928 0.871 . . . . 15.0 109.887 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.33 22.32 14.35 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.558 -0.746 . . . . 15.0 110.594 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -63.35 -40.15 96.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.794 -0.639 . . . . 15.0 111.261 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.411 ' HG ' ' HE3' ' B' ' 143' ' ' LYS . 2.2 mm? -102.54 49.64 0.84 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.078 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -46.07 85.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.698 -0.683 . . . . 15.0 112.378 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.64 -45.76 74.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 15.0 111.42 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.7 -48.41 80.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.935 -0.575 . . . . 15.0 111.029 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.38 98.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.932 -0.576 . . . . 15.0 111.18 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -61.23 -45.73 93.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.472 -0.331 . . . . 15.0 110.975 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 44.6 mt -60.13 -47.88 84.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.616 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -65.58 -38.7 90.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.941 -0.572 . . . . 15.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -65.32 -47.9 74.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.46 -0.336 . . . . 15.0 110.955 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 43.8 tp -57.91 -39.59 78.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 15.0 110.191 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -68.75 -43.99 74.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.811 -0.631 . . . . 15.0 110.178 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' ASN . . . . . 0.471 ' O ' ' HB2' ' B' ' 121' ' ' GLU . 1.8 t30 -62.18 -43.53 98.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.851 -0.613 . . . . 15.0 110.741 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.48 -42.96 98.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.985 0.421 . . . . 15.0 111.204 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.2 -44.12 76.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.386 -0.37 . . . . 15.0 111.18 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.37 -19.75 57.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.197 -0.456 . . . . 15.0 112.206 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' B' ' 117' ' ' ASN . 19.6 tt0 -57.43 -20.93 33.35 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.244 0.461 . . . . 15.0 112.244 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -58.42 -67.54 0.34 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.164 -0.471 . . . . 15.0 111.423 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -136.53 -26.86 1.08 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.99 0.424 . . . . 15.0 111.395 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -81.6 22.94 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.129 -0.487 . . . . 15.0 111.451 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 25.6 tp -64.51 -31.83 73.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.986 0.422 . . . . 15.0 110.425 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -66.12 -41.4 90.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.902 -0.59 . . . . 15.0 109.61 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 37.2 ttp85 -72.12 -41.23 67.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.645 -0.707 . . . . 15.0 110.231 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -57.61 -48.86 78.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.601 -0.727 . . . . 15.0 111.099 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.434 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -61.65 -32.28 72.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.963 -0.562 . . . . 15.0 111.051 -178.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 29.4 m -79.91 -41.04 26.92 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.853 0.359 . . . . 15.0 110.866 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -61.52 -49.31 77.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 15.0 110.477 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 5.0 tmt_? -57.48 -36.32 71.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.462 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -61.29 -41.37 96.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.949 -0.569 . . . . 15.0 111.195 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 134' ' ' ASP . . . . . 0.557 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 18.4 t70 -83.81 -23.28 31.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.831 0.348 . . . . 15.0 111.558 -179.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -82.94 -36.61 25.07 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 111.974 0.361 . . . . 15.0 111.974 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.76 -29.59 70.11 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.75 0.278 . . . . 15.0 111.75 -178.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 137' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 12.7 ptpt -69.37 -25.15 64.03 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.359 -0.608 . . . . 15.0 109.359 178.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -83.96 -28.04 28.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.285 -0.87 . . . . 15.0 108.725 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -61.97 -33.81 74.99 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.4 -0.818 . . . . 15.0 110.299 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.04 -26.43 68.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 15.0 110.439 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -83.05 -41.39 18.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.876 -0.602 . . . . 15.0 110.215 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' B' ' 146' ' ' GLU . 40.7 ttp85 -75.31 -55.07 6.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.765 -0.652 . . . . 15.0 111.582 -179.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 143' ' ' LYS . . . . . 0.411 ' HE3' ' HG ' ' B' ' 106' ' ' LEU . 43.4 mmtm -61.0 -21.39 63.52 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.129 0.418 . . . . 15.0 112.129 -178.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -57.47 -51.95 67.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.932 0.396 . . . . 15.0 110.418 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -90.02 -32.57 16.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.127 -0.488 . . . . 15.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 146' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' B' ' 142' ' ' ARG . 7.5 tt0 -61.03 -55.13 36.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.002 -0.544 . . . . 15.0 111.903 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.73 -27.47 67.64 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.813 0.34 . . . . 15.0 111.188 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -73.89 -41.1 62.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.922 -0.581 . . . . 15.0 110.576 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 15.9 tp -75.4 -45.69 37.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.136 -0.483 . . . . 15.0 110.728 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -76.32 107.66 8.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.973 -0.558 . . . . 15.0 111.096 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -76.1 -36.27 58.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.895 0.378 . . . . 15.0 110.171 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.892 -0.575 . . . . 15.0 109.812 179.639 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 109.857 -0.423 . . . . 15.0 109.857 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.0 m -129.32 157.27 42.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.104 -0.702 . . . . 15.0 109.104 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -76.79 -15.72 59.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.656 0.265 . . . . 15.0 111.172 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -68.06 106.84 2.5 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.755 -0.461 . . . . 15.0 109.755 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -123.83 118.78 27.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.138 -0.483 . . . . 15.0 111.143 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -127.91 106.52 9.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.204 -0.453 . . . . 15.0 109.998 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -150.7 161.09 43.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.825 0.345 . . . . 15.0 111.053 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.3 m -147.24 138.24 23.74 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.391 -0.596 . . . . 15.0 109.391 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 17.1 mmt -113.8 165.27 12.73 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 122.331 -0.23 . . . . 15.0 110.838 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -85.74 97.45 10.16 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.498 0.555 . . . . 15.0 112.498 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.05 -113.4 1.63 Allowed Glycine 0 C--O 1.23 -0.137 0 CA-C-N 115.036 -0.984 . . . . 15.0 114.985 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.608 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 23.7 m -76.44 -9.44 58.65 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.784 0.661 . . . . 15.0 112.784 -177.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.23 56.43 14.81 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 121.053 -0.594 . . . . 15.0 112.326 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -65.13 -24.72 67.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.192 0.52 . . . . 15.0 110.357 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.39 27.37 9.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.535 -0.757 . . . . 15.0 110.085 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -75.65 113.46 13.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.55 -0.75 . . . . 15.0 110.401 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -112.47 32.53 5.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.13 -0.487 . . . . 15.0 110.65 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.12 146.51 41.31 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.765 -0.731 . . . . 15.0 111.634 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -85.49 105.72 16.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.218 0.532 . . . . 15.0 111.002 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.0 tt -156.2 130.8 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.462 -0.79 . . . . 15.0 109.321 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.6 37.25 4.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.914 0.388 . . . . 15.0 111.46 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -140.54 153.93 46.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.264 -0.426 . . . . 15.0 111.215 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.7 p -95.83 -177.43 4.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.966 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -68.48 -22.72 64.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.883 0.373 . . . . 15.0 110.792 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.02 3.55 51.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.225 -0.443 . . . . 15.0 110.985 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.63 25.42 72.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.871 -0.68 . . . . 15.0 112.754 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.61 158.02 16.19 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.313 -0.254 . . . . 15.0 110.313 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -81.33 131.64 35.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.065 0.46 . . . . 15.0 111.622 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.519 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 13.7 t -82.5 142.24 32.02 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.527 -0.761 . . . . 15.0 110.874 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.404 ' HG2' ' N ' ' A' ' 31' ' ' ALA . 5.0 tt0 -94.11 148.8 21.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.869 -0.605 . . . . 15.0 109.998 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.572 ' HB3' ' OG ' ' A' ' 34' ' ' SER . . . -67.34 144.22 55.96 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 110.33 -0.248 . . . . 15.0 110.33 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 60.7 m95 -67.54 -26.41 66.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.21 -0.45 . . . . 15.0 111.409 -178.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -103.21 11.83 36.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.673 -0.239 . . . . 15.0 111.444 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.572 ' OG ' ' HB3' ' A' ' 31' ' ' ALA . 3.0 m -67.59 153.9 42.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 15.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -104.53 19.67 19.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.41 -0.359 . . . . 15.0 111.45 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.36 143.95 97.67 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 106.507 -1.664 . . . . 15.0 106.507 176.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.81 100.7 1.22 Allowed 'Trans proline' 0 N--CA 1.457 -0.638 0 CA-C-N 120.101 1.072 . . . . 15.0 112.812 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.422 ' NE2' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -121.25 162.63 19.9 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 113.928 -1.487 . . . . 15.0 109.209 176.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.69 110.47 22.81 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 107.312 -1.366 . . . . 15.0 107.312 175.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -172.08 174.38 4.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.193 0.521 . . . . 15.0 111.414 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.4 ' HA3' ' OD1' ' B' ' 117' ' ' ASN . . . -138.01 21.29 3.17 Favored Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.41 -0.814 . . . . 15.0 111.114 178.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -86.61 111.47 20.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.519 -0.341 . . . . 15.0 110.816 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.442 HG22 ' H ' ' A' ' 45' ' ' SER . 44.1 mm -119.38 130.26 24.94 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.375 -0.602 . . . . 15.0 109.375 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -51.9 -35.07 58.6 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.847 2.364 . . . . 15.0 113.048 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.442 ' H ' HG22 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -67.11 -18.88 65.51 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.871 0.367 . . . . 15.0 111.74 -179.763 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -86.91 -26.08 24.09 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.001 0.429 . . . . 15.0 111.084 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -124.54 68.7 51.92 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.153 -0.476 . . . . 15.0 110.987 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.86 -32.72 8.73 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.22 1.946 . . . . 15.0 112.329 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -75.09 -10.46 59.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.264 -0.425 . . . . 15.0 111.389 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -92.7 -4.13 53.7 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.71 -0.478 . . . . 15.0 109.71 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 39.6 t30 55.16 56.74 6.17 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 114.992 -1.004 . . . . 15.0 111.232 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mp -84.17 109.85 18.06 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.489 -0.56 . . . . 15.0 109.489 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -144.0 150.63 38.56 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.333 -0.394 . . . . 15.0 110.646 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt 53.59 -129.12 2.32 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.798 -0.637 . . . . 15.0 111.203 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -130.12 26.3 5.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.926 0.393 . . . . 15.0 110.56 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -75.47 136.78 40.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.231 -0.441 . . . . 15.0 110.767 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 50.8 t -71.47 146.31 48.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.198 -0.456 . . . . 15.0 110.269 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.23 179.43 7.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 15.0 109.674 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -119.69 86.82 36.01 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.563 -0.289 . . . . 15.0 110.799 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -92.84 2.32 3.64 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.856 2.371 . . . . 15.0 112.032 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -105.46 -8.44 18.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.689 -0.687 . . . . 15.0 111.547 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 60.64 31.44 20.18 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.157 0.504 . . . . 15.0 109.849 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.32 -171.85 3.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.566 -0.743 . . . . 15.0 111.079 -178.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.432 ' H ' HD12 ' A' ' 64' ' ' LEU . 5.3 mp -51.37 -42.27 61.22 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.518 -0.764 . . . . 15.0 112.868 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -163.59 154.43 13.88 Favored Pre-proline 0 C--O 1.224 -0.255 0 C-N-CA 120.983 -0.287 . . . . 15.0 111.106 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.608 ' HD3' ' O ' ' A' ' 12' ' ' SER . 52.4 Cg_exo -52.22 135.34 52.88 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.995 2.463 . . . . 15.0 113.738 -178.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 -130.78 179.22 6.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.2 -0.909 . . . . 15.0 109.426 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.519 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -164.62 158.25 17.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.719 0.295 . . . . 15.0 110.688 179.755 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -79.21 141.75 36.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 15.0 109.944 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.49 142.15 39.31 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.473 -0.331 . . . . 15.0 111.284 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.78 52.84 2.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.978 0.418 . . . . 15.0 112.056 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -132.48 128.82 21.22 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.463 -0.335 . . . . 15.0 110.263 179.677 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 29.8 Cg_exo -60.08 -21.22 64.61 Favored 'Trans proline' 0 N--CA 1.476 0.472 0 C-N-CA 122.57 2.18 . . . . 15.0 113.388 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -98.04 -0.45 44.57 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.551 -0.295 . . . . 15.0 111.682 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -149.78 104.74 3.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.615 0.245 . . . . 15.0 110.627 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.422 ' HA ' ' NE2' ' A' ' 38' ' ' HIS . 20.7 mtm180 -67.93 -45.21 74.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.217 -0.447 . . . . 15.0 111.231 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 58.5 p-90 -153.42 166.1 33.73 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.876 -0.33 . . . . 15.0 111.018 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -152.21 170.13 20.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.343 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -89.5 162.36 15.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.549 -0.75 . . . . 15.0 110.369 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 11.0 t -117.21 137.35 52.42 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.392 -0.595 . . . . 15.0 109.392 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -90.47 109.76 20.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 15.0 110.68 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.1 mt -124.85 132.61 24.34 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.935 -0.575 . . . . 15.0 110.421 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.35 133.07 44.21 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.702 2.268 . . . . 15.0 112.435 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -101.5 167.72 9.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.107 -0.497 . . . . 15.0 110.788 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.0 m -90.89 164.76 13.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.133 -0.485 . . . . 15.0 110.117 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.08 -36.43 64.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.307 0.575 . . . . 15.0 109.808 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.313 -0.851 . . . . 15.0 110.09 179.483 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.816 0 N-CA-C 111.976 -0.449 . . . . 15.0 111.976 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 4.9 t -155.79 -162.18 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.162 -0.681 . . . . 15.0 109.162 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.417 HG13 ' O ' ' B' ' 103' ' ' VAL . 6.7 p -69.06 99.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.739 0.78 . . . . 15.0 109.793 179.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -105.27 -0.6 26.17 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.598 -0.728 . . . . 15.0 111.112 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -68.18 -53.7 23.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.227 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -91.44 57.18 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.724 -0.472 . . . . 15.0 109.724 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.86 -61.18 2.72 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.86 0.689 . . . . 15.0 112.86 -178.366 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.14 93.55 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.899 0.333 . . . . 15.0 111.899 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.03 -49.83 74.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 15.0 111.291 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.72 -41.6 92.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.42 . . . . 15.0 111.224 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -57.74 -49.14 77.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.012 -0.54 . . . . 15.0 110.924 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.32 -47.21 86.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.287 -0.415 . . . . 15.0 111.143 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -59.95 -44.85 94.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 15.0 111.567 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -69.92 -46.95 64.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.685 -0.234 . . . . 15.0 111.56 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 30.9 tp -57.37 -39.57 76.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.16 0.505 . . . . 15.0 110.377 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -72.28 -42.19 65.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.423 -0.808 . . . . 15.0 110.653 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' ASN . . . . . 0.4 ' OD1' ' HA3' ' A' ' 41' ' ' GLY . 7.4 t30 -61.34 -46.97 88.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.76 -0.655 . . . . 15.0 111.465 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -34.05 73.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.424 . . . . 15.0 111.429 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -79.31 -42.24 26.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.382 -0.372 . . . . 15.0 111.117 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.72 -19.27 62.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 15.0 111.83 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -57.95 -17.94 20.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.45 -0.341 . . . . 15.0 111.809 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -60.89 -75.38 0.07 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.773 0.321 . . . . 15.0 111.131 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -134.92 -3.69 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 15.0 111.409 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -95.6 12.75 28.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.618 -0.265 . . . . 15.0 110.722 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.15 -35.75 75.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.103 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -69.52 -26.67 64.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.909 0.385 . . . . 15.0 110.584 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 60.1 ttp85 -86.27 -31.35 21.7 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.305 -0.628 . . . . 15.0 109.305 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -55.82 -50.39 70.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.184 -0.916 . . . . 15.0 110.253 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -61.78 -46.6 88.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.095 -0.502 . . . . 15.0 111.392 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 3.9 m -62.07 -41.61 98.34 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.812 0.339 . . . . 15.0 111.313 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -65.92 -41.79 90.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 15.0 110.854 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -42.62 79.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.934 -0.575 . . . . 15.0 111.637 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -58.58 -53.73 54.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 15.0 111.643 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.69 -36.97 83.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 15.0 110.814 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -62.64 -49.59 74.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.465 . . . . 15.0 111.338 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -32.04 73.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.046 0.45 . . . . 15.0 110.535 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 137' ' ' LYS . . . . . 0.427 ' HB3' ' HE2' ' B' ' 137' ' ' LYS . 34.3 ttpt -63.55 -42.48 98.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.873 -0.603 . . . . 15.0 110.112 179.246 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -75.91 -27.91 57.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.011 -0.541 . . . . 15.0 110.088 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.33 -22.38 66.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.754 -0.657 . . . . 15.0 111.522 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.37 -45.94 83.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.755 0.312 . . . . 15.0 110.693 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -69.6 -37.85 77.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.86 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.444 ' O ' ' HB2' ' B' ' 146' ' ' GLU . 10.6 ttp180 -68.24 -57.03 6.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.261 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -62.49 -22.88 66.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.55 . . . . 15.0 112.213 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 144' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' B' ' 148' ' ' LYS . . . -58.27 -49.07 78.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.36 . . . . 15.0 110.497 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -92.09 -35.5 13.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 15.0 111.661 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 146' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' B' ' 142' ' ' ARG . 9.8 tt0 -58.34 -57.08 14.47 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.872 0.693 . . . . 15.0 112.872 -177.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -77.01 -10.1 59.14 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.194 0.521 . . . . 15.0 111.163 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 148' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' B' ' 144' ' ' ALA . 65.1 tttt -82.21 -45.53 14.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.801 -0.636 . . . . 15.0 110.253 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 45.2 tp -83.14 -53.35 5.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.592 -0.731 . . . . 15.0 110.53 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -95.96 90.6 5.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.061 0.457 . . . . 15.0 110.512 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -87.67 -17.29 32.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.211 -0.45 . . . . 15.0 111.269 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.744 -0.646 . . . . 15.0 110.316 179.854 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 121.009 0.433 . . . . 15.0 110.296 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.2 m -113.54 159.17 13.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.292 -0.413 . . . . 15.0 110.762 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -91.25 -17.96 25.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.208 0.528 . . . . 15.0 109.907 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -113.25 69.61 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.778 -0.646 . . . . 15.0 110.034 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.81 137.52 36.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.65 -0.704 . . . . 15.0 110.572 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -136.77 120.85 17.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.951 0.405 . . . . 15.0 110.734 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -161.72 162.27 29.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.715 -0.675 . . . . 15.0 109.811 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.6 m -136.15 132.19 35.68 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.99 0.424 . . . . 15.0 110.294 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.2 mmt -114.67 167.47 10.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.108 -0.496 . . . . 15.0 110.466 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.3 t60 -66.36 151.63 46.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.317 -0.401 . . . . 15.0 110.187 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.49 -60.59 7.63 Favored Glycine 0 CA--C 1.522 0.487 0 O-C-N 123.44 0.463 . . . . 15.0 113.114 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.6 t -68.05 -41.62 81.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.893 0.378 . . . . 15.0 110.76 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 61.44 44.25 98.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.992 -0.623 . . . . 15.0 112.246 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -70.56 -38.56 74.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.96 0.409 . . . . 15.0 111.226 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -95.17 26.59 3.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.177 -0.465 . . . . 15.0 110.977 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -65.12 112.11 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.647 -0.501 . . . . 15.0 109.647 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.445 ' HA ' ' NH2' ' A' ' 58' ' ' ARG . 8.1 t70 -116.79 11.7 14.6 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.171 -0.468 . . . . 15.0 110.923 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.93 147.67 50.29 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.641 -0.709 . . . . 15.0 112.008 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -76.99 115.5 16.84 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.947 0.403 . . . . 15.0 110.666 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 tt -165.46 131.14 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.536 -0.756 . . . . 15.0 109.838 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 p -130.74 39.8 3.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.21 0.529 . . . . 15.0 110.568 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -142.52 154.35 44.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.659 -0.7 . . . . 15.0 110.48 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.7 p -93.16 177.36 6.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.981 -0.554 . . . . 15.0 110.197 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -68.45 -19.23 64.56 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.182 0.515 . . . . 15.0 110.327 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -12.16 54.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.637 -0.711 . . . . 15.0 110.827 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.2 25.58 33.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.657 -0.782 . . . . 15.0 111.819 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.4 mt -97.16 154.5 17.33 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.263 -0.273 . . . . 15.0 110.263 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -74.8 137.78 42.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.052 -0.522 . . . . 15.0 110.939 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.589 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 28.7 t -90.57 141.43 28.77 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.635 -0.712 . . . . 15.0 111.029 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -87.13 144.57 26.8 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.586 -0.734 . . . . 15.0 110.166 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -70.09 140.8 52.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.496 -0.32 . . . . 15.0 110.786 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -67.99 -19.82 64.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.812 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -103.16 3.59 35.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 15.0 111.32 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.489 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 34.4 t -79.95 147.56 31.56 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.089 -0.337 . . . . 15.0 110.089 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -109.21 36.56 2.87 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 120.72 -0.392 . . . . 15.0 111.873 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.66 142.72 96.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 105.413 -2.069 . . . . 15.0 105.413 175.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -70.9 97.92 0.76 Allowed 'Trans proline' 0 N--CA 1.454 -0.831 0 CA-C-N 121.085 1.423 . . . . 15.0 112.649 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.634 ' NE2' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -123.13 164.63 18.28 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 113.488 -1.687 . . . . 15.0 108.88 176.161 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.27 112.34 24.07 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 106.955 -1.498 . . . . 15.0 106.955 175.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.499 ' HA ' ' NH1' ' B' ' 132' ' ' ARG . 46.5 p-80 -170.92 -177.86 2.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.19 0.519 . . . . 15.0 111.828 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.62 35.76 0.43 Allowed Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.27 -0.877 . . . . 15.0 110.933 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -104.83 108.1 19.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 15.0 110.683 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 8.9 mm -110.88 129.47 23.94 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.968 -0.56 . . . . 15.0 109.577 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -53.62 -27.46 41.74 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.157 2.571 . . . . 15.0 113.608 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.57 -22.22 61.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.045 0.45 . . . . 15.0 111.089 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -95.9 -6.22 39.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.016 -0.538 . . . . 15.0 110.738 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -136.69 56.67 13.82 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.131 -0.486 . . . . 15.0 111.701 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -82.39 -6.41 11.86 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.07 1.846 . . . . 15.0 111.349 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -80.85 -25.47 37.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.909 -1.041 . . . . 15.0 110.707 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -102.19 8.89 40.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.008 0.432 . . . . 15.0 110.444 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 51.4 t30 54.51 56.81 6.39 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.095 -0.957 . . . . 15.0 112.028 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.0 mp -79.52 110.53 14.92 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.504 -0.554 . . . . 15.0 109.504 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -143.8 144.09 31.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.575 0.226 . . . . 15.0 110.722 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt 52.47 -133.77 1.76 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.523 -0.762 . . . . 15.0 111.928 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -120.4 31.5 6.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.989 0.424 . . . . 15.0 110.95 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -81.05 144.65 31.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.268 -0.424 . . . . 15.0 110.333 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.9 t -62.71 132.68 53.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.279 -0.419 . . . . 15.0 109.996 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.445 ' NH2' ' HA ' ' A' ' 17' ' ' ASP . 2.4 mmp_? -133.93 169.85 16.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.776 0.322 . . . . 15.0 110.57 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -134.28 82.98 45.67 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-O 121.343 0.592 . . . . 15.0 109.624 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -85.27 1.97 8.07 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.465 2.11 . . . . 15.0 113.872 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.441 ' HB2' ' HD3' ' B' ' 129' ' ' LYS . 38.1 t70 -109.24 -15.6 14.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.813 0.339 . . . . 15.0 110.825 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.1 mtm105 66.06 29.93 9.78 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.152 -1.055 . . . . 15.0 108.152 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -76.3 -171.62 1.82 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 114.584 -1.189 . . . . 15.0 111.126 -179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.0 mt -51.03 -43.3 60.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.213 -0.903 . . . . 15.0 112.983 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -160.15 148.69 13.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 C-N-CA 120.61 -0.436 . . . . 15.0 111.913 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.52 145.87 21.08 Favored 'Trans proline' 0 C--O 1.238 0.52 0 C-N-CA 123.236 2.624 . . . . 15.0 114.101 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 29.7 p-90 -136.8 173.31 11.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.145 -0.934 . . . . 15.0 109.775 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.589 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 4.9 p -164.88 156.87 15.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.577 -0.283 . . . . 15.0 111.019 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -79.52 147.76 32.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 15.0 109.922 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.31 167.04 10.07 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.888 0.375 . . . . 15.0 111.274 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 p -99.3 18.71 16.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.018 0.437 . . . . 15.0 110.848 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.44 119.64 48.9 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 15.0 109.872 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.5 -21.06 22.71 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.267 2.645 . . . . 15.0 114.686 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -87.29 -11.86 48.31 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.696 0.284 . . . . 15.0 111.604 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.78 109.18 6.91 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.04 -0.355 . . . . 15.0 110.04 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.634 ' HA ' ' NE2' ' A' ' 38' ' ' HIS . 8.8 mtm180 -65.89 -54.03 31.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.616 0.246 . . . . 15.0 110.875 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.408 ' CZ2' ' HA ' ' B' ' 133' ' ' HIS . 66.4 p-90 -146.98 159.75 43.19 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.895 -0.409 . . . . 15.0 109.895 179.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -141.22 173.21 11.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.223 0.535 . . . . 15.0 111.345 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -94.49 158.96 15.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.357 -0.838 . . . . 15.0 110.837 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 5.0 t -120.36 138.64 53.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.211 -0.663 . . . . 15.0 109.211 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -95.23 115.97 28.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.807 0.337 . . . . 15.0 110.59 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.9 mt -125.15 132.82 24.4 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.097 -0.501 . . . . 15.0 110.125 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -64.78 122.68 10.59 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.27 1.98 . . . . 15.0 111.177 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -103.28 163.15 12.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.167 -0.47 . . . . 15.0 111.095 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 18.6 m -74.0 149.52 41.24 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.933 -0.576 . . . . 15.0 110.271 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.59 -25.61 50.06 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.905 0.383 . . . . 15.0 110.738 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.215 0 CA-C-O 118.748 -0.644 . . . . 15.0 110.323 179.661 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 112.473 -0.251 . . . . 15.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 14.4 p -157.97 -151.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.723 0.262 . . . . 15.0 110.414 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 p -76.4 74.11 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-O 122.221 1.01 . . . . 15.0 110.523 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -86.93 8.34 23.55 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.361 -0.836 . . . . 15.0 112.197 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -71.48 -27.07 62.98 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.159 0.504 . . . . 15.0 109.838 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -102.2 41.02 1.26 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.75 -0.659 . . . . 15.0 109.55 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -56.9 15.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.633 -0.712 . . . . 15.0 112.627 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.58 -42.35 95.69 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.829 0.307 . . . . 15.0 111.829 -178.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -62.23 -45.48 93.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.052 -0.522 . . . . 15.0 110.787 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.67 -38.04 73.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 15.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -61.84 -48.88 78.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 15.0 110.674 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 65.8 mt -59.49 -41.38 89.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.873 0.368 . . . . 15.0 110.539 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -66.42 -42.54 87.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 15.0 110.359 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -67.86 -44.4 77.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.531 . . . . 15.0 111.101 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 17.3 tp -60.94 -39.18 88.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.113 0.482 . . . . 15.0 110.346 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -68.91 -44.98 72.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.557 -0.747 . . . . 15.0 110.029 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -64.5 -37.52 87.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.897 -0.592 . . . . 15.0 110.747 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -61.88 -44.52 96.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.831 -0.622 . . . . 15.0 111.374 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.18 -35.74 55.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.918 0.39 . . . . 15.0 111.013 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.01 -27.46 65.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.107 -0.497 . . . . 15.0 111.417 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -48.67 -28.4 3.51 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 122.959 0.504 . . . . 15.0 111.623 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -54.35 -67.72 0.24 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.949 -0.569 . . . . 15.0 110.864 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -154.53 4.01 0.24 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.435 0.531 . . . . 15.0 112.435 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.04 3.0 32.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.999 0.428 . . . . 15.0 110.318 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 18.0 tp -58.78 -29.8 67.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.535 -0.757 . . . . 15.0 110.925 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -61.34 -54.68 40.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.808 -0.633 . . . . 15.0 110.526 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -73.75 -33.41 64.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.075 -0.512 . . . . 15.0 110.84 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -58.04 -43.82 87.05 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.347 0.594 . . . . 15.0 109.787 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.441 ' HD3' ' HB2' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -63.83 -38.1 89.83 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.258 -0.883 . . . . 15.0 110.539 179.65 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 1.5 m -71.12 -31.33 67.62 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.319 0.58 . . . . 15.0 110.157 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -65.25 -34.82 79.26 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.709 -0.678 . . . . 15.0 109.836 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 132' ' ' ARG . . . . . 0.499 ' NH1' ' HA ' ' A' ' 40' ' ' HIS . 19.4 mtp180 -59.56 -38.7 81.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.716 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 133' ' ' HIS . . . . . 0.408 ' HA ' ' CZ2' ' A' ' 77' ' ' TRP . 4.2 m-70 -54.86 -42.87 72.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 15.0 111.32 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 134' ' ' ASP . . . . . 0.448 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 25.2 t70 -85.07 -30.72 23.86 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.079 0.4 . . . . 15.0 112.079 -179.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -74.47 -45.7 44.48 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.182 0.438 . . . . 15.0 112.182 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.34 -38.34 90.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.712 0.292 . . . . 15.0 111.329 -178.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 137' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 0.2 OUTLIER -64.08 -32.66 74.3 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.727 -0.471 . . . . 15.0 109.727 179.332 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -76.91 -36.31 56.73 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.896 -0.779 . . . . 15.0 108.896 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.03 -37.15 81.57 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.413 -0.812 . . . . 15.0 110.067 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.76 -38.21 72.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.343 -0.39 . . . . 15.0 110.757 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.74 -38.28 21.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.224 -0.443 . . . . 15.0 111.114 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 38.5 ttp85 -71.66 -44.34 64.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.539 -0.3 . . . . 15.0 111.657 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -61.13 -29.84 70.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.652 -0.249 . . . . 15.0 111.283 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 144' ' ' ALA . . . . . 0.539 ' O ' ' HB2' ' B' ' 148' ' ' LYS . . . -60.72 -41.96 96.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 15.0 110.641 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.76 -37.1 16.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.917 -0.583 . . . . 15.0 110.834 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -60.47 -55.41 33.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.823 -0.626 . . . . 15.0 111.507 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -70.73 -17.49 62.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.045 0.45 . . . . 15.0 110.898 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 148' ' ' LYS . . . . . 0.539 ' HB2' ' O ' ' B' ' 144' ' ' ALA . 66.6 tttt -72.63 -26.59 61.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.898 -0.592 . . . . 15.0 109.994 179.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 14.3 tp -105.51 -38.4 6.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.827 -0.624 . . . . 15.0 110.464 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -78.49 83.45 4.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.037 -0.529 . . . . 15.0 110.595 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -65.41 0.69 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.387 -0.824 . . . . 15.0 111.398 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.402 -0.808 . . . . 15.0 110.036 -179.636 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.8 0.333 . . . . 15.0 110.245 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.8 m -100.88 149.9 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 15.0 109.943 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -75.12 -42.98 55.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.929 0.395 . . . . 15.0 110.362 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -69.79 110.51 4.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.971 -0.559 . . . . 15.0 111.271 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -121.2 155.61 34.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.033 -0.531 . . . . 15.0 110.447 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -150.54 99.03 2.71 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.124 -0.324 . . . . 15.0 110.124 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -166.38 162.67 17.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.445 -0.343 . . . . 15.0 110.46 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.9 m -144.07 150.97 39.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.299 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.5 mmt -114.91 154.6 28.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.569 -0.287 . . . . 15.0 110.449 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.59 95.46 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.998 -0.546 . . . . 15.0 112.146 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 39.43 -101.9 0.02 OUTLIER Glycine 0 CA--C 1.522 0.53 0 O-C-N 124.17 0.919 . . . . 15.0 115.148 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.603 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 47.8 t -65.1 -39.2 92.83 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 122.983 0.513 . . . . 15.0 111.602 -179.206 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.11 48.39 75.8 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.746 -0.74 . . . . 15.0 111.674 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.9 -38.13 87.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.86 0.362 . . . . 15.0 111.109 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -96.76 27.92 3.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.17 -0.468 . . . . 15.0 111.204 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -66.8 110.58 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 15.0 110.839 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -109.14 26.75 10.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.326 0.584 . . . . 15.0 110.306 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.59 159.65 53.11 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.608 -0.724 . . . . 15.0 112.453 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -92.49 105.68 17.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.878 0.371 . . . . 15.0 111.034 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.5 tt -162.66 137.67 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.914 -0.584 . . . . 15.0 109.511 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.37 25.27 3.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.15 0.5 . . . . 15.0 110.979 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -130.6 136.23 48.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.995 -0.548 . . . . 15.0 110.254 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.7 p -80.22 177.23 9.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.752 0.31 . . . . 15.0 110.753 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -70.02 -15.9 63.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.223 0.535 . . . . 15.0 110.328 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.62 -2.73 58.81 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.85 -0.614 . . . . 15.0 110.855 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.46 25.12 63.95 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.892 -0.67 . . . . 15.0 112.419 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.1 mt -98.08 163.18 12.86 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.919 -0.401 . . . . 15.0 109.919 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -91.15 144.03 26.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.011 0.434 . . . . 15.0 110.578 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.622 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 3.5 t -96.34 141.88 29.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.808 -0.633 . . . . 15.0 111.897 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -88.06 139.13 30.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.547 -0.752 . . . . 15.0 109.848 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.546 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -62.6 141.58 58.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.499 -0.319 . . . . 15.0 110.961 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -63.83 -23.01 67.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.063 -0.517 . . . . 15.0 111.591 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -98.68 -9.86 24.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.454 -0.339 . . . . 15.0 111.426 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.546 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 13.0 t -77.21 146.12 37.18 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 108.341 -0.985 . . . . 15.0 108.341 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -118.93 60.37 0.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.76 1.022 . . . . 15.0 113.76 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.18 161.15 79.94 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 105.016 -2.216 . . . . 15.0 105.016 174.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -72.28 97.49 0.86 Allowed 'Trans proline' 0 N--CA 1.455 -0.768 0 CA-C-N 122.084 1.78 . . . . 15.0 111.918 -178.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.535 ' NE2' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -124.63 162.65 23.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.025 -1.443 . . . . 15.0 110.141 176.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.75 113.34 26.78 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 106.961 -1.496 . . . . 15.0 106.961 174.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -171.62 -176.35 1.77 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.292 0.568 . . . . 15.0 112.314 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.7 28.37 0.48 Allowed Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.026 -0.988 . . . . 15.0 110.792 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -94.59 73.29 3.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.958 0.409 . . . . 15.0 110.941 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.49 HG22 ' H ' ' A' ' 45' ' ' SER . 33.0 mm -79.97 131.37 63.54 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.092 -0.504 . . . . 15.0 110.093 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -52.75 -31.23 50.05 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.991 2.461 . . . . 15.0 112.595 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.49 ' H ' HG22 ' A' ' 43' ' ' ILE . 1.1 m -70.69 -11.6 61.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.017 -0.538 . . . . 15.0 111.431 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -99.05 -15.4 19.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.514 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -136.4 60.07 30.04 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.29 -0.414 . . . . 15.0 111.206 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.74 -24.03 18.66 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 121.897 1.732 . . . . 15.0 111.972 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -77.53 -12.27 59.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.825 -0.625 . . . . 15.0 111.413 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -98.05 3.98 49.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.016 0.436 . . . . 15.0 109.991 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 55.4 t30 52.39 61.52 3.16 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.092 -0.958 . . . . 15.0 111.94 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.1 mp -84.42 109.46 17.89 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.52 -0.548 . . . . 15.0 109.52 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -146.52 148.99 32.76 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 116.187 -0.46 . . . . 15.0 110.355 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt 51.83 -142.1 0.76 Allowed 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.593 0.558 . . . . 15.0 111.261 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.415 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 32.8 p-10 -118.87 28.99 7.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.112 0.482 . . . . 15.0 110.249 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -77.87 140.53 39.34 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.874 -0.603 . . . . 15.0 110.364 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 9.3 t -60.46 129.89 43.87 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.826 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 58' ' ' ARG . 5.8 mmp_? -134.67 166.44 22.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.999 -0.546 . . . . 15.0 109.869 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -126.94 75.54 76.19 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.653 -0.499 . . . . 15.0 109.653 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -87.91 -4.94 7.02 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.696 2.264 . . . . 15.0 111.728 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.45 ' OD2' ' HB2' ' B' ' 129' ' ' LYS . 0.4 OUTLIER -91.67 -23.17 19.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.538 -0.755 . . . . 15.0 110.213 -179.622 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 mtm105 65.55 35.98 6.85 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.643 -0.708 . . . . 15.0 109.932 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -89.51 -169.47 2.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.87 -1.059 . . . . 15.0 110.155 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.5 mt -49.65 -46.73 49.99 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.906 0.706 . . . . 15.0 112.906 -178.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -156.17 155.85 29.6 Favored Pre-proline 0 C--N 1.331 -0.239 0 C-N-CA 120.715 -0.394 . . . . 15.0 111.756 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.603 ' HD3' ' O ' ' A' ' 12' ' ' SER . 32.0 Cg_exo -56.6 144.13 86.42 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.956 2.437 . . . . 15.0 113.717 -179.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 43.8 p-90 -139.34 -176.44 4.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.022 -0.99 . . . . 15.0 109.425 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.622 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 2.5 p -165.67 154.22 11.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.626 0.25 . . . . 15.0 110.701 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -75.52 133.51 40.99 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.488 -0.56 . . . . 15.0 109.488 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.31 155.62 16.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.233 -0.44 . . . . 15.0 111.454 -178.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.64 11.3 3.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 15.0 112.086 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.5 OUTLIER -94.62 127.37 44.02 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 110.399 -0.223 . . . . 15.0 110.399 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 18.4 Cg_exo -66.12 -19.5 57.08 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.395 2.063 . . . . 15.0 112.866 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -88.2 -18.29 29.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.538 -0.301 . . . . 15.0 111.411 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.8 tptp -133.23 109.57 9.51 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.855 -0.424 . . . . 15.0 109.855 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.535 ' HA ' ' NE2' ' A' ' 38' ' ' HIS . 9.1 mtm180 -64.34 -56.0 17.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.278 -0.419 . . . . 15.0 111.388 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.9 p-90 -146.71 153.73 40.6 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.794 -0.363 . . . . 15.0 110.673 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -139.06 165.05 28.15 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.079 -0.509 . . . . 15.0 110.63 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -83.4 160.97 21.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.548 -0.751 . . . . 15.0 111.718 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.6 t -118.06 134.32 55.09 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.035 -0.728 . . . . 15.0 109.035 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -89.3 96.7 10.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.012 0.434 . . . . 15.0 110.867 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.5 mt -111.85 125.64 29.94 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.535 -0.757 . . . . 15.0 109.983 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.91 122.98 12.52 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 122.886 2.391 . . . . 15.0 112.841 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -98.58 159.68 14.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.744 -0.662 . . . . 15.0 110.237 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 17.7 m -72.68 149.04 44.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.348 -0.387 . . . . 15.0 110.666 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.07 -20.39 48.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.014 0.435 . . . . 15.0 110.985 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.294 -0.86 . . . . 15.0 110.442 179.828 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.806 0 N-CA-C 112.052 -0.419 . . . . 15.0 112.052 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.64 153.59 21.04 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.389 -0.226 . . . . 15.0 110.389 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 14.5 p -64.83 134.74 29.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 121.302 0.572 . . . . 15.0 111.454 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -122.22 43.42 2.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.004 -0.544 . . . . 15.0 110.856 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -68.76 -30.02 68.53 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.138 -0.483 . . . . 15.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.4 ' HB3' ' HB3' ' B' ' 109' ' ' ASP . 1.9 mm? -97.67 77.15 2.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.959 -0.564 . . . . 15.0 110.587 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -63.48 1.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.874 0.369 . . . . 15.0 111.97 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.91 -36.88 78.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.29 -0.414 . . . . 15.0 111.977 -178.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ASP . . . . . 0.4 ' HB3' ' HB3' ' B' ' 106' ' ' LEU . 0.3 OUTLIER -56.73 -51.34 69.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.161 -0.472 . . . . 15.0 111.326 -179.333 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.03 -36.23 74.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.087 -0.506 . . . . 15.0 111.154 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.47 -50.24 72.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.433 -0.349 . . . . 15.0 110.645 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 99.4 mt -62.66 -47.75 82.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 15.0 110.858 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -60.11 -46.45 89.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.851 -0.613 . . . . 15.0 111.495 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -66.71 -46.13 76.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.634 -0.257 . . . . 15.0 110.956 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 27.7 tp -56.41 -50.1 72.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 15.0 110.716 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -62.89 -38.66 91.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.625 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -63.56 -45.59 89.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.335 -0.393 . . . . 15.0 111.161 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -68.91 -34.2 75.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.631 -0.259 . . . . 15.0 111.157 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.47 -45.27 60.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.136 0.493 . . . . 15.0 110.285 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.23 -18.87 61.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.949 -0.569 . . . . 15.0 111.552 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -52.6 -24.66 8.74 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 122.94 0.496 . . . . 15.0 112.332 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.28 -69.27 0.23 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.487 -0.324 . . . . 15.0 111.572 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -137.39 -4.78 1.84 Allowed 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.379 0.511 . . . . 15.0 112.379 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -97.64 11.22 37.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.516 -0.311 . . . . 15.0 110.581 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 33.6 tp -56.93 -37.85 72.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.235 -0.439 . . . . 15.0 111.874 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.13 -36.91 82.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.387 -0.369 . . . . 15.0 111.009 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 37.6 ttp85 -81.45 -25.1 36.4 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.579 -0.448 . . . . 15.0 109.986 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -59.32 -51.18 71.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 15.0 110.174 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.487 ' HG2' ' N ' ' B' ' 130' ' ' SER . 0.1 OUTLIER -63.08 -39.34 94.43 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.392 -0.367 . . . . 15.0 110.923 -179.729 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 130' ' ' SER . . . . . 0.487 ' N ' ' HG2' ' B' ' 129' ' ' LYS . 1.6 m -65.31 -42.44 93.02 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.044 0.449 . . . . 15.0 110.954 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -65.76 -42.5 90.79 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.096 -0.502 . . . . 15.0 109.793 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -43.87 79.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.73 -0.668 . . . . 15.0 110.355 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -53.46 53.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.415 -0.811 . . . . 15.0 112.072 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 134' ' ' ASP . . . . . 0.519 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 15.3 t70 -74.68 -32.27 62.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.284 -0.416 . . . . 15.0 112.002 -178.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -69.77 -39.66 76.52 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.709 0.29 . . . . 15.0 110.975 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -61.52 -43.38 98.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.161 -0.472 . . . . 15.0 110.947 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 3.9 ptpt -66.64 -20.43 65.99 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.417 -0.356 . . . . 15.0 110.881 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -85.05 -31.65 23.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.4 0.619 . . . . 15.0 109.402 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 139' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' B' ' 143' ' ' LYS . 49.5 mm-40 -75.61 -8.86 57.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.402 -0.817 . . . . 15.0 110.641 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.03 -59.46 4.88 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.311 0.382 . . . . 15.0 111.55 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 41.0 mp0 -79.11 -34.82 43.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.929 0.395 . . . . 15.0 110.745 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 9.2 ttp85 -62.09 -49.0 77.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.252 -0.431 . . . . 15.0 111.312 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 143' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' B' ' 139' ' ' GLU . 28.4 mmtm -68.5 -33.11 73.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.306 0.098 . . . . 15.0 110.971 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -55.99 -43.99 78.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 15.0 111.106 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -89.22 -28.44 19.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.223 -0.444 . . . . 15.0 111.567 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -68.16 -51.63 43.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.517 -0.311 . . . . 15.0 110.428 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -64.66 -31.0 72.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.165 0.507 . . . . 15.0 110.149 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -67.78 -49.2 63.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.672 -0.694 . . . . 15.0 110.821 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 20.2 tp -73.93 -42.25 60.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.97 0.414 . . . . 15.0 110.529 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -94.13 86.85 5.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.221 0.534 . . . . 15.0 110.565 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -74.84 -16.44 60.69 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.943 -0.572 . . . . 15.0 109.865 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 . . . . . 0 C--O 1.246 0.876 0 CA-C-O 118.507 -0.758 . . . . 15.0 109.517 178.626 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.94 0.4 . . . . 15.0 110.239 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.4 m -112.62 156.64 13.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.262 -0.426 . . . . 15.0 110.132 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -82.59 -25.84 32.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.895 0.378 . . . . 15.0 110.853 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -100.26 114.73 28.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.252 -0.431 . . . . 15.0 110.061 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m -149.09 119.98 7.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.497 -0.32 . . . . 15.0 110.275 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -86.06 132.68 33.99 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.305 -0.407 . . . . 15.0 110.839 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -167.26 156.39 10.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 15.0 111.206 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.9 m -143.21 137.76 29.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.763 -0.653 . . . . 15.0 110.024 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.438 ' HG3' HG21 ' A' ' 82' ' ' ILE . 20.4 mmt -117.45 168.87 9.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.115 0.484 . . . . 15.0 111.526 -178.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -66.01 151.83 45.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.379 -0.828 . . . . 15.0 110.561 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -47.42 -65.69 2.24 Favored Glycine 0 C--N 1.332 0.354 0 O-C-N 123.487 0.492 . . . . 15.0 114.263 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 m -68.17 -42.89 79.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.967 0.413 . . . . 15.0 111.126 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 66' ' ' PRO . . . 72.5 31.76 62.78 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.727 -0.749 . . . . 15.0 112.924 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.05 -32.4 59.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.343 0.592 . . . . 15.0 109.728 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -89.23 27.17 1.46 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.451 -0.795 . . . . 15.0 109.886 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -67.85 114.84 6.76 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.668 -0.696 . . . . 15.0 110.679 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.58 19.53 18.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.789 -0.641 . . . . 15.0 109.852 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.41 164.5 52.5 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.266 -0.879 . . . . 15.0 113.013 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -112.93 106.24 14.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.879 0.371 . . . . 15.0 110.576 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 tt -155.06 126.48 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.641 -0.503 . . . . 15.0 109.641 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.77 3.88 27.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.225 -0.443 . . . . 15.0 111.726 -178.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -117.75 152.75 34.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.831 0.348 . . . . 15.0 110.639 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.4 p -89.82 179.33 6.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.39 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -66.02 -17.73 64.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.75 0.31 . . . . 15.0 111.229 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -93.17 -5.94 48.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.276 -0.42 . . . . 15.0 111.363 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.31 7.79 69.28 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.491 -0.862 . . . . 15.0 112.838 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.5 mt -84.34 157.02 21.62 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.896 -0.409 . . . . 15.0 109.896 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -81.78 139.78 34.61 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.109 0.481 . . . . 15.0 111.598 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 6.9 t -87.76 135.89 33.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.68 -0.691 . . . . 15.0 110.598 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -82.32 138.25 34.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.911 -0.586 . . . . 15.0 110.096 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.543 ' HB3' ' OG ' ' A' ' 34' ' ' SER . . . -65.19 138.56 58.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.965 0.412 . . . . 15.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -66.3 -20.75 66.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.502 -0.772 . . . . 15.0 111.179 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -103.16 4.81 37.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.46 -0.337 . . . . 15.0 111.051 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.543 ' OG ' ' HB3' ' A' ' 31' ' ' ALA . 24.0 m -91.1 128.68 37.01 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.846 -0.427 . . . . 15.0 109.846 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -90.86 43.01 1.13 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.336 0.495 . . . . 15.0 112.336 -178.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -67.28 139.6 94.91 Favored Pre-proline 0 C--O 1.235 0.336 0 N-CA-C 105.032 -2.21 . . . . 15.0 105.032 175.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -71.03 98.1 0.79 Allowed 'Trans proline' 0 N--CA 1.456 -0.687 0 CA-C-N 120.522 1.222 . . . . 15.0 114.045 -175.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.425 ' NE2' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -124.03 165.73 16.96 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 113.235 -1.802 . . . . 15.0 107.738 174.761 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -96.79 111.5 23.65 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.448 -1.315 . . . . 15.0 107.448 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -171.15 176.0 4.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.875 0.369 . . . . 15.0 111.373 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -145.07 39.36 1.19 Allowed Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.666 -0.697 . . . . 15.0 111.601 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -105.73 125.71 51.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.709 0.29 . . . . 15.0 111.121 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.536 HG22 ' H ' ' A' ' 45' ' ' SER . 35.6 mm -136.35 133.42 19.36 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 108.602 -0.888 . . . . 15.0 108.602 179.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -50.28 -34.85 41.8 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.072 2.515 . . . . 15.0 113.404 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.536 ' H ' HG22 ' A' ' 43' ' ' ILE . 1.4 m -71.62 -4.94 30.01 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.32 0.489 . . . . 15.0 112.32 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.506 ' CD ' ' HB ' ' A' ' 43' ' ' ILE . 39.9 mtpt -102.81 -17.96 15.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.988 0.423 . . . . 15.0 110.404 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.43 ' N ' ' HD3' ' A' ' 48' ' ' PRO . 81.0 m-85 -136.27 62.34 43.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 15.0 110.531 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 47' ' ' PHE . 3.3 Cg_exo -74.14 -27.27 11.92 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.501 2.134 . . . . 15.0 112.135 -178.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -75.87 -15.74 60.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 15.0 110.79 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -94.39 -0.05 55.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.134 -0.485 . . . . 15.0 110.324 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.9 t30 56.68 61.3 2.7 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.346 -0.843 . . . . 15.0 111.683 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 mp -93.64 110.38 21.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.023 -0.535 . . . . 15.0 109.649 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -146.4 152.79 39.63 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.183 -0.462 . . . . 15.0 109.809 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt 53.38 -129.29 2.32 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.722 0.639 . . . . 15.0 111.147 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.471 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . 29.7 p-10 -131.14 32.26 4.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.092 0.472 . . . . 15.0 110.292 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -72.38 147.48 46.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.815 -0.63 . . . . 15.0 110.501 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 5.8 t -67.55 126.76 30.33 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.129 -0.693 . . . . 15.0 109.129 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -137.55 176.13 8.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.74 0.305 . . . . 15.0 110.57 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -147.06 92.64 4.9 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-O 121.109 0.48 . . . . 15.0 109.852 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -84.5 -1.85 9.76 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.358 2.038 . . . . 15.0 113.63 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 62' ' ' ARG . 32.2 t70 -104.26 -24.8 13.08 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.904 -0.318 . . . . 15.0 111.555 -179.129 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 19.4 mtm180 74.99 37.96 0.46 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.688 0.618 . . . . 15.0 109.336 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -81.49 -169.59 2.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.539 -0.755 . . . . 15.0 111.104 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.08 -39.93 43.98 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.64 0.978 . . . . 15.0 113.64 -178.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -163.35 152.94 12.77 Favored Pre-proline 0 N--CA 1.468 0.425 0 CA-C-N 118.327 0.512 . . . . 15.0 112.028 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.405 ' HG3' ' O ' ' A' ' 13' ' ' GLY . 50.4 Cg_exo -53.2 149.43 28.35 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.144 2.563 . . . . 15.0 113.378 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 -146.8 171.22 15.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.238 -0.892 . . . . 15.0 109.789 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.598 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -161.12 155.25 22.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.412 -0.358 . . . . 15.0 110.601 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -73.68 143.21 46.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.114 -0.494 . . . . 15.0 109.809 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.47 156.79 17.08 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.789 0.328 . . . . 15.0 111.181 -179.379 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.73 34.93 1.28 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.422 0.63 . . . . 15.0 110.389 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 1.9 m-20 -114.46 127.23 27.03 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.639 -0.71 . . . . 15.0 110.081 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 31.9 Cg_exo -58.5 -21.01 52.11 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.778 2.319 . . . . 15.0 113.311 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -101.65 3.93 40.29 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.644 0.238 . . . . 15.0 111.644 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -141.06 115.15 9.21 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.81 -0.356 . . . . 15.0 110.971 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.425 ' HA ' ' NE2' ' A' ' 38' ' ' HIS . 81.0 mtt-85 -67.69 -63.22 1.1 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.184 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.2 p-90 -145.36 164.87 30.14 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.278 -0.638 . . . . 15.0 109.278 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -139.33 163.93 31.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.363 0.601 . . . . 15.0 111.55 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -86.49 162.45 18.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.742 -1.117 . . . . 15.0 110.87 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 8.0 t -116.76 144.82 44.01 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.056 -0.72 . . . . 15.0 109.056 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -111.56 105.11 13.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.78 0.324 . . . . 15.0 110.402 -178.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.438 HG21 ' HG3' ' A' ' 9' ' ' MET . 1.8 mt -128.2 134.08 25.85 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.134 -0.485 . . . . 15.0 109.95 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -65.49 123.4 11.39 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.31 2.006 . . . . 15.0 112.217 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.69 156.64 17.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.358 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.0 m -69.92 150.87 46.28 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.857 -0.61 . . . . 15.0 110.573 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.9 60.53 4.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.375 0.607 . . . . 15.0 110.672 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.237 -0.887 . . . . 15.0 109.839 -179.661 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.789 0 N-CA-C 112.28 -0.328 . . . . 15.0 112.28 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 6.0 t -146.42 -157.25 0.79 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.6 -0.518 . . . . 15.0 109.6 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 3.6 p -70.95 101.21 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.856 0.836 . . . . 15.0 109.855 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -116.4 15.73 15.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.206 -0.906 . . . . 15.0 110.601 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -59.33 -45.6 90.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.628 -0.715 . . . . 15.0 110.717 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -97.74 53.37 1.11 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.019 -0.537 . . . . 15.0 109.786 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -39.69 85.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.586 -0.734 . . . . 15.0 111.948 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.529 ' O ' ' HG ' ' B' ' 112' ' ' LEU . . . -74.2 -43.8 55.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.74 0.305 . . . . 15.0 110.53 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.07 -49.7 76.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.955 -0.566 . . . . 15.0 110.707 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.62 -38.28 90.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.829 -0.623 . . . . 15.0 111.146 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.56 -52.44 65.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.938 0.399 . . . . 15.0 110.605 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' B' ' 108' ' ' ALA . 41.7 mt -61.68 -43.96 97.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.83 -0.623 . . . . 15.0 111.076 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -64.12 -44.42 92.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.089 -0.505 . . . . 15.0 111.163 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -66.01 -47.64 73.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.714 -0.221 . . . . 15.0 111.241 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 36.7 tp -60.42 -44.14 96.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.76 0.314 . . . . 15.0 110.808 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -65.96 -46.57 77.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.029 -0.532 . . . . 15.0 110.653 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -62.52 -49.01 77.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.989 -0.551 . . . . 15.0 111.553 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.73 -34.18 75.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 15.0 111.804 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.6 -32.09 60.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.428 0.633 . . . . 15.0 109.956 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -78.38 -17.59 56.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.43 -0.804 . . . . 15.0 111.45 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.34 -24.19 0.45 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.339 0.866 . . . . 15.0 113.339 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -64.21 -59.77 4.02 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.515 0.198 . . . . 15.0 111.204 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -149.01 -31.16 0.24 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.731 0.271 . . . . 15.0 111.731 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.74 -8.71 15.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.376 -0.375 . . . . 15.0 111.594 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 25.1 tp -53.87 -34.05 58.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.386 . . . . 15.0 111.007 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -64.56 -46.49 82.56 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.072 -0.513 . . . . 15.0 110.266 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 52.9 ttp85 -71.98 -33.2 67.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.271 -0.422 . . . . 15.0 110.233 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -60.48 -39.52 87.98 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 108.342 -0.985 . . . . 15.0 108.342 178.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.437 ' HB2' ' HE3' ' B' ' 129' ' ' LYS . 17.8 ttmt -60.97 -47.05 88.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.486 -1.234 . . . . 15.0 110.019 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 1.4 m -68.98 -30.3 68.68 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.571 -0.74 . . . . 15.0 110.784 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -69.41 -45.68 68.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 15.0 110.071 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -33.4 68.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.936 -0.575 . . . . 15.0 110.151 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.6 -46.34 89.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.169 -0.923 . . . . 15.0 111.413 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 134' ' ' ASP . . . . . 0.621 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 32.7 t70 -84.54 -35.93 22.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.163 -0.471 . . . . 15.0 112.132 -178.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -62.65 -24.42 67.6 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.225 0.454 . . . . 15.0 112.225 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 136' ' ' ASP . . . . . 0.403 ' OD1' ' HD2' ' A' ' 76' ' ' ARG . 2.1 t70 -63.82 -44.75 92.29 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.173 0.434 . . . . 15.0 112.173 -178.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 137' ' ' LYS . . . . . 0.621 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 8.2 ptpt -63.24 -30.92 71.97 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.899 0.381 . . . . 15.0 110.354 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -79.12 -36.43 40.62 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.506 -0.553 . . . . 15.0 109.506 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.17 -42.92 95.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.47 -0.786 . . . . 15.0 110.034 179.097 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.17 93.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.107 -0.497 . . . . 15.0 110.592 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -68.15 -28.44 67.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.792 -0.64 . . . . 15.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' B' ' 142' ' ' ARG . 13.1 ttp180 -87.45 -55.0 3.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.097 -0.501 . . . . 15.0 111.585 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 143' ' ' LYS . . . . . 0.435 ' HA ' ' HB3' ' B' ' 146' ' ' GLU . 42.1 mmtm -56.89 -27.44 60.67 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.532 0.567 . . . . 15.0 112.532 -178.236 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -52.81 -47.98 67.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 15.0 110.632 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -91.2 -41.59 10.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 15.0 111.035 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 146' ' ' GLU . . . . . 0.435 ' HB3' ' HA ' ' B' ' 143' ' ' LYS . 28.7 tt0 -55.59 -53.7 53.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.671 -0.695 . . . . 15.0 112.336 -178.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -70.62 -26.09 63.33 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.115 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -69.85 -46.95 64.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.113 -0.494 . . . . 15.0 110.256 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 38.7 tp -67.18 -44.25 80.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.348 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -77.35 97.71 4.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.919 0.39 . . . . 15.0 110.709 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 151' ' ' ASP . . . . . 0.401 ' OD2' ' HD1' ' B' ' 152' ' ' TYR . 8.4 p-10 -77.4 -26.1 51.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.261 -0.427 . . . . 15.0 110.995 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 152' ' ' TYR . . . . . 0.401 ' HD1' ' OD2' ' B' ' 151' ' ' ASP . 3.1 m-85 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.396 -0.812 . . . . 15.0 110.386 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 121.031 0.443 . . . . 15.0 110.443 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.1 m -137.46 172.52 14.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.919 -0.582 . . . . 15.0 110.037 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -85.03 -32.14 23.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.933 0.396 . . . . 15.0 110.451 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -80.62 84.21 6.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.908 -0.587 . . . . 15.0 111.429 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.75 130.45 46.79 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.002 -0.545 . . . . 15.0 110.455 179.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -130.09 128.03 41.05 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.467 -0.333 . . . . 15.0 110.271 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -163.38 161.03 24.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.394 . . . . 15.0 110.514 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.404 ' HB3' ' SG ' ' A' ' 85' ' ' CYS . 57.1 m -143.56 135.13 26.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.343 -0.389 . . . . 15.0 110.446 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.2 mmt -113.94 160.43 18.82 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.868 0.366 . . . . 15.0 111.176 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -81.49 96.76 7.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.659 -0.7 . . . . 15.0 112.028 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 44.04 -109.41 0.25 Allowed Glycine 0 C--N 1.332 0.313 0 CA-C-N 115.092 -0.958 . . . . 15.0 114.912 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.428 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 71.4 m -68.96 -26.45 65.06 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.417 0.525 . . . . 15.0 112.417 -178.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.86 52.8 50.12 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.517 -0.849 . . . . 15.0 111.681 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -67.8 -17.43 64.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.051 0.453 . . . . 15.0 111.018 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -109.01 24.27 13.37 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.293 0.568 . . . . 15.0 109.763 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -69.53 109.14 4.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.762 -0.653 . . . . 15.0 110.099 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.462 ' HA ' ' NH2' ' A' ' 58' ' ' ARG . 26.6 t0 -113.78 32.46 5.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.397 0.618 . . . . 15.0 109.997 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.87 144.05 28.39 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.52 -0.764 . . . . 15.0 111.733 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -80.06 105.81 11.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.402 0.62 . . . . 15.0 111.022 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.9 tt -158.0 131.52 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.209 -0.905 . . . . 15.0 109.557 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.94 32.99 5.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.023 0.439 . . . . 15.0 110.734 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -137.1 147.22 45.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.069 -0.514 . . . . 15.0 110.516 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.407 HG21 ' HB2' ' A' ' 78' ' ' GLU . 3.3 p -88.95 177.8 6.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.074 -0.512 . . . . 15.0 110.376 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -70.04 -15.33 62.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 15.0 110.217 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.5 m -88.24 2.23 52.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 15.0 110.69 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.7 24.11 75.24 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 120.946 -0.645 . . . . 15.0 112.596 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.2 mt -96.89 163.49 12.95 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.144 -0.317 . . . . 15.0 110.144 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -88.51 141.31 28.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.05 0.452 . . . . 15.0 111.106 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.572 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 43.0 t -91.38 140.31 29.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.737 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -86.04 147.67 26.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.557 -0.747 . . . . 15.0 109.495 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.23 139.37 50.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.82 0.343 . . . . 15.0 110.145 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -65.17 -23.02 66.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.754 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -101.84 13.84 33.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.19 -0.459 . . . . 15.0 111.29 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -81.2 168.77 18.15 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.624 0.249 . . . . 15.0 110.83 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 35' ' ' GLN . 1.4 mm-40 -118.12 22.47 12.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.395 -0.366 . . . . 15.0 111.845 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.41 133.33 94.39 Favored Pre-proline 0 N--CA 1.45 -0.442 0 N-CA-C 105.974 -1.862 . . . . 15.0 105.974 177.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.31 101.06 1.2 Allowed 'Trans proline' 0 N--CA 1.455 -0.748 0 CA-C-N 119.584 0.887 . . . . 15.0 114.153 -175.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.459 ' CD2' ' HG2' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -122.57 162.91 20.94 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 113.931 -1.486 . . . . 15.0 108.348 175.22 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.19 111.83 23.59 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.536 -0.913 . . . . 15.0 108.536 176.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -171.5 -178.97 2.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.821 0.343 . . . . 15.0 111.055 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.83 25.05 0.73 Allowed Glycine 0 N--CA 1.452 -0.299 0 N-CA-C 111.418 -0.673 . . . . 15.0 111.418 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.415 ' CE2' ' HG3' ' B' ' 129' ' ' LYS . 14.6 m-85 -97.93 109.18 21.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.04 0.447 . . . . 15.0 110.559 -179.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.8 mm -112.02 135.52 21.27 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 115.662 -0.699 . . . . 15.0 109.275 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -50.14 -34.03 37.66 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.934 2.423 . . . . 15.0 113.542 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.59 -16.47 64.19 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.908 0.385 . . . . 15.0 111.455 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -94.06 -11.94 29.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.434 -0.348 . . . . 15.0 110.503 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -134.73 61.96 51.07 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.15 -0.477 . . . . 15.0 110.972 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -73.31 -24.25 16.85 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 121.92 1.747 . . . . 15.0 112.147 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -80.43 -21.74 41.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.664 -0.698 . . . . 15.0 111.099 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt -87.45 0.91 54.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.881 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.1 t30 55.43 53.09 10.28 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.656 -0.702 . . . . 15.0 111.63 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 mp -83.81 110.44 18.35 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.198 -0.667 . . . . 15.0 109.198 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -147.66 150.25 34.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.444 -0.344 . . . . 15.0 110.52 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt 54.76 -136.16 1.33 Allowed 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.739 0.65 . . . . 15.0 111.594 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -127.21 35.07 4.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.512 0.672 . . . . 15.0 109.81 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -83.58 147.34 27.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.543 -0.753 . . . . 15.0 110.499 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 14.8 t -61.62 126.66 28.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.934 -0.575 . . . . 15.0 110.016 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.462 ' NH2' ' HA ' ' A' ' 17' ' ' ASP . 2.2 mmp_? -133.2 165.15 25.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.133 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -136.78 81.93 33.24 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 121.136 0.493 . . . . 15.0 110.125 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -85.52 6.33 5.67 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.578 2.185 . . . . 15.0 112.835 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -110.88 -13.97 14.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.623 0.249 . . . . 15.0 111.227 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 63.45 36.07 11.61 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.005 -0.543 . . . . 15.0 110.774 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.58 -171.74 2.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 15.0 110.907 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.1 mp -51.78 -46.55 64.21 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.182 0.808 . . . . 15.0 113.182 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.408 ' NH2' ' HA ' ' A' ' 81' ' ' ASP . 2.4 ptm180 -152.92 146.41 18.03 Favored Pre-proline 0 N--CA 1.465 0.308 0 C-N-CA 121.019 -0.272 . . . . 15.0 111.597 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 12' ' ' SER . 61.0 Cg_exo -51.37 142.35 37.95 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.196 2.597 . . . . 15.0 113.909 -179.136 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 18.7 p-90 -130.88 176.87 7.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.788 -1.097 . . . . 15.0 109.472 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.572 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -161.93 149.03 14.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.795 0.331 . . . . 15.0 110.995 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -74.4 134.98 42.4 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.4 -0.593 . . . . 15.0 109.4 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.54 174.95 6.86 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 120.652 0.263 . . . . 15.0 110.808 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.14 17.19 23.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.21 0.529 . . . . 15.0 110.384 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.45 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.8 OUTLIER -95.32 134.68 24.09 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.546 -0.752 . . . . 15.0 110.23 -179.691 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 17.0 Cg_exo -66.13 -27.74 49.13 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.368 2.045 . . . . 15.0 112.678 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -87.67 -8.32 56.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.196 -0.456 . . . . 15.0 111.812 -178.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -141.36 108.55 5.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.79 0.329 . . . . 15.0 110.383 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.459 ' HG2' ' CD2' ' A' ' 38' ' ' HIS . 26.6 mtm-85 -67.05 -49.84 63.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.093 -0.503 . . . . 15.0 111.309 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.2 p-90 -147.68 159.49 43.73 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.011 -0.54 . . . . 15.0 109.976 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.407 ' HB2' HG21 ' A' ' 23' ' ' THR . 27.7 mm-40 -145.93 173.36 12.21 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.146 -0.316 . . . . 15.0 110.146 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -95.36 161.76 13.95 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.149 0.499 . . . . 15.0 111.289 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 6.9 t -117.39 160.38 21.25 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.117 -0.697 . . . . 15.0 109.117 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.408 ' HA ' ' NH2' ' A' ' 65' ' ' ARG . 38.0 t70 -111.51 110.74 21.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.033 0.444 . . . . 15.0 111.253 -179.168 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.8 mt -124.37 130.18 24.42 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.787 -0.642 . . . . 15.0 109.933 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.94 123.57 12.85 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.672 2.248 . . . . 15.0 112.07 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -104.01 159.57 15.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.222 -0.445 . . . . 15.0 111.02 -178.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 55.7 m -73.62 165.43 25.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.078 -0.51 . . . . 15.0 110.275 178.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.26 8.31 24.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.883 0.373 . . . . 15.0 111.159 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.497 -0.763 . . . . 15.0 110.784 -179.85 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 112.154 -0.378 . . . . 15.0 112.154 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 4.1 t -149.12 -153.04 0.47 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.091 -0.707 . . . . 15.0 109.091 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.428 HG13 ' O ' ' B' ' 103' ' ' VAL . 7.0 p -77.0 81.0 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-O 122.323 1.059 . . . . 15.0 110.361 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -92.35 -2.22 56.52 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.478 -0.783 . . . . 15.0 111.134 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -62.37 -42.25 99.26 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.154 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -87.26 50.38 2.0 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.716 -0.475 . . . . 15.0 109.716 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.49 -46.23 76.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.365 -0.834 . . . . 15.0 112.302 -178.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.464 ' O ' ' HG ' ' B' ' 112' ' ' LEU . . . -81.67 -44.55 16.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.876 0.324 . . . . 15.0 111.876 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.27 -48.69 79.64 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.438 -0.347 . . . . 15.0 111.793 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.71 78.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 15.0 110.762 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.44 -50.95 67.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 15.0 110.763 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 108' ' ' ALA . 83.0 mt -58.54 -42.69 88.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 15.0 110.946 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -68.36 -42.76 78.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 15.0 111.147 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 38.5 ttm-85 -66.84 -46.98 73.36 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.107 0.254 . . . . 15.0 110.61 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 18.5 tp -55.65 -48.8 74.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.896 -0.593 . . . . 15.0 110.442 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -63.37 -45.87 89.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.455 -0.793 . . . . 15.0 110.614 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -62.27 -41.37 98.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.501 . . . . 15.0 111.474 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -66.79 -33.63 76.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.959 0.409 . . . . 15.0 110.947 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -79.08 -38.55 36.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.134 0.492 . . . . 15.0 110.389 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.86 -18.34 62.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.875 -0.602 . . . . 15.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -52.36 -24.98 8.58 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.761 -0.654 . . . . 15.0 112.168 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -59.3 -71.32 0.12 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.676 0.274 . . . . 15.0 111.114 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -149.35 16.66 0.92 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 15.0 111.807 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -111.33 3.31 18.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.927 0.394 . . . . 15.0 110.033 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 29.6 tp -60.04 -39.06 84.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.716 -0.674 . . . . 15.0 111.441 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -61.52 -43.99 97.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.174 -0.466 . . . . 15.0 110.803 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 24.2 ttp85 -77.0 -36.86 56.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.39 -0.368 . . . . 15.0 110.717 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -58.53 -36.26 73.58 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.539 -0.541 . . . . 15.0 109.539 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.415 ' HG3' ' CE2' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -58.57 -52.91 63.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.459 -0.791 . . . . 15.0 110.279 179.262 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 130' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' B' ' 133' ' ' HIS . 6.2 m -67.89 -29.84 69.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.788 -0.642 . . . . 15.0 111.074 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -70.04 -42.65 72.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.819 -0.437 . . . . 15.0 109.819 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -32.26 66.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.065 -0.516 . . . . 15.0 110.179 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 133' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' B' ' 130' ' ' SER . 0.8 OUTLIER -60.17 -52.55 64.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.373 -0.83 . . . . 15.0 111.142 179.358 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 134' ' ' ASP . . . . . 0.577 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 0.7 OUTLIER -79.04 -26.07 43.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.053 -0.521 . . . . 15.0 111.903 -178.381 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -73.44 -30.1 62.99 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 121.143 -0.223 . . . . 15.0 111.502 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -68.81 -40.59 79.48 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.02 0.378 . . . . 15.0 112.02 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 137' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 13.9 ptpt -64.41 -29.08 70.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.19 0.519 . . . . 15.0 110.072 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -73.7 -32.58 64.0 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.154 -0.684 . . . . 15.0 109.154 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -68.15 -24.37 64.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.399 -0.819 . . . . 15.0 110.61 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -59.9 -56.46 21.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.384 -0.371 . . . . 15.0 111.104 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.13 -27.18 60.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.309 -0.405 . . . . 15.0 111.219 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 42.7 ttp85 -71.98 -55.59 7.17 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.921 -0.312 . . . . 15.0 110.598 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -62.08 -32.02 72.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.381 -0.372 . . . . 15.0 111.997 -179.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.01 -45.63 71.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 15.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -90.36 -38.32 13.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.1 -0.5 . . . . 15.0 111.182 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.13 -51.92 67.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.921 -0.581 . . . . 15.0 112.442 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.92 -30.66 70.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.733 0.302 . . . . 15.0 111.122 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -71.77 -23.09 61.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.398 0.618 . . . . 15.0 110.054 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 24.4 tp -91.35 -54.47 3.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.747 -0.661 . . . . 15.0 109.883 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -93.6 79.74 4.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.778 -0.647 . . . . 15.0 110.294 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -73.07 -16.55 61.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.858 -0.61 . . . . 15.0 111.274 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 . . . . . 0 C--O 1.245 0.819 0 CA-C-O 118.282 -0.866 . . . . 15.0 110.195 178.952 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 120.882 0.372 . . . . 15.0 110.204 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.8 m -112.32 164.76 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.118 -0.492 . . . . 15.0 110.793 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -87.05 12.94 10.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.068 0.461 . . . . 15.0 110.945 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -104.08 72.87 1.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.955 -0.566 . . . . 15.0 109.829 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.67 113.96 27.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.593 -0.731 . . . . 15.0 111.304 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -116.83 114.43 23.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.377 -0.374 . . . . 15.0 110.361 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -158.53 175.25 13.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.329 -0.396 . . . . 15.0 111.114 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.3 m -149.35 144.13 26.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.119 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.1 mmt -113.42 166.36 11.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.502 -0.317 . . . . 15.0 110.311 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -88.25 97.69 11.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.101 0.408 . . . . 15.0 112.101 -178.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 50.85 -117.39 5.29 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.331 -0.85 . . . . 15.0 114.147 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.523 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -64.86 -24.87 67.67 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.475 0.31 . . . . 15.0 111.774 -179.206 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.02 49.09 49.96 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.643 -0.789 . . . . 15.0 112.071 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -65.04 -29.27 70.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.387 0.613 . . . . 15.0 110.31 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -94.47 26.92 3.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.62 -0.718 . . . . 15.0 110.656 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -74.68 109.66 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.701 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -113.28 18.9 17.5 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.688 -0.856 . . . . 15.0 108.688 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.6 155.44 33.11 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.253 -0.885 . . . . 15.0 112.669 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -96.33 106.03 18.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.027 0.442 . . . . 15.0 110.791 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.9 tt -159.07 129.82 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.92 -0.582 . . . . 15.0 109.75 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.1 21.9 12.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.17 -0.468 . . . . 15.0 111.222 -179.014 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -131.95 146.39 52.06 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.368 -0.378 . . . . 15.0 110.306 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.4 p -87.17 179.68 6.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -65.24 -22.49 66.88 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.876 0.37 . . . . 15.0 111.377 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 m -88.23 2.94 51.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.302 -0.408 . . . . 15.0 111.075 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.77 20.02 79.67 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.924 -0.655 . . . . 15.0 112.781 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.5 mt -91.92 150.71 20.88 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.642 -0.328 . . . . 15.0 110.296 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -71.91 138.82 48.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.121 -0.49 . . . . 15.0 111.508 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.596 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 8.0 t -95.01 138.91 32.11 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.78 -0.646 . . . . 15.0 110.43 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -83.43 149.25 26.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.989 -0.55 . . . . 15.0 109.851 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.559 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -73.39 139.8 46.16 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.28 -0.267 . . . . 15.0 110.28 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -66.63 -26.43 67.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.216 0.531 . . . . 15.0 110.758 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.01 -0.05 57.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.008 -0.542 . . . . 15.0 111.235 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.559 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 24.9 t -80.31 162.44 24.56 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.832 -0.803 . . . . 15.0 108.832 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -124.71 36.64 4.56 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.669 -0.412 . . . . 15.0 111.405 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.07 140.2 95.77 Favored Pre-proline 0 N--CA 1.453 -0.308 0 N-CA-C 105.66 -1.978 . . . . 15.0 105.66 176.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -71.64 98.6 0.88 Allowed 'Trans proline' 0 N--CA 1.456 -0.695 0 CA-C-N 120.416 1.184 . . . . 15.0 113.998 -175.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -124.04 164.16 19.96 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 113.214 -1.812 . . . . 15.0 107.827 175.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.62 112.39 21.55 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 107.889 -1.152 . . . . 15.0 107.889 176.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -171.39 179.2 3.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.478 0.656 . . . . 15.0 112.151 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -155.18 24.98 0.6 Allowed Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 109.848 -1.301 . . . . 15.0 109.848 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -90.3 113.01 24.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.993 -0.604 . . . . 15.0 111.74 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.3 mm -119.46 132.23 24.08 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 108.82 -0.808 . . . . 15.0 108.82 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -48.97 -32.71 23.93 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.199 2.599 . . . . 15.0 113.685 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -20.84 65.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.807 0.336 . . . . 15.0 111.609 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.408 ' C ' ' HD3' ' A' ' 48' ' ' PRO . 47.0 mtpt -88.46 -20.42 25.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.043 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.443 ' N ' ' HD3' ' A' ' 48' ' ' PRO . 8.3 m-85 -132.09 61.74 59.55 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.649 -0.251 . . . . 15.0 111.52 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 47' ' ' PHE . 4.4 Cg_exo -79.1 -21.19 9.5 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.443 2.095 . . . . 15.0 111.74 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -79.3 -11.74 59.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.6 -0.727 . . . . 15.0 111.081 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -106.05 9.73 32.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.964 0.411 . . . . 15.0 110.431 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.6 t30 51.3 60.75 3.64 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.318 -0.855 . . . . 15.0 111.501 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 tp -84.45 109.98 18.3 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.883 -0.784 . . . . 15.0 108.883 178.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -149.06 146.79 27.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.313 -0.403 . . . . 15.0 111.05 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 50.48 -138.94 0.95 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.636 -0.711 . . . . 15.0 111.714 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.3 p-10 -116.78 43.69 2.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.454 0.645 . . . . 15.0 110.799 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -88.56 141.06 28.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.633 -0.712 . . . . 15.0 110.728 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.8 t -67.52 129.78 40.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.039 -0.528 . . . . 15.0 109.632 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 mmt85 -138.87 167.25 22.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.687 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -127.68 86.05 59.3 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 109.722 -0.473 . . . . 15.0 109.722 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -87.99 -0.52 7.08 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.682 2.255 . . . . 15.0 113.637 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -107.97 -13.0 15.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.852 0.358 . . . . 15.0 110.728 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 67.08 33.85 5.42 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 109.275 -0.639 . . . . 15.0 109.275 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.39 -170.86 2.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.161 -0.927 . . . . 15.0 111.058 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 12' ' ' SER . 24.2 mt -49.42 -47.81 47.69 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 113.153 0.797 . . . . 15.0 113.153 -178.167 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -159.45 150.68 16.32 Favored Pre-proline 0 C--N 1.33 -0.281 0 C-N-CA 120.863 -0.335 . . . . 15.0 111.535 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.523 ' HD3' ' O ' ' A' ' 12' ' ' SER . 81.0 Cg_exo -47.64 140.8 16.38 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.319 2.679 . . . . 15.0 113.686 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 -137.53 175.79 9.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.012 -0.995 . . . . 15.0 109.834 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.596 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 1.1 p -164.28 159.98 20.52 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.638 0.256 . . . . 15.0 110.874 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -79.68 148.61 31.52 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.652 -0.499 . . . . 15.0 109.652 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.69 179.54 5.33 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.494 -0.321 . . . . 15.0 111.376 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.6 6.19 19.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.482 0.658 . . . . 15.0 110.534 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -106.15 122.62 41.64 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.586 -0.734 . . . . 15.0 109.507 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.78 -21.65 26.46 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.007 2.471 . . . . 15.0 113.653 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -79.48 -11.64 59.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.619 -0.264 . . . . 15.0 111.483 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.6 tptp -133.95 123.67 25.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.145 0.497 . . . . 15.0 110.409 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.07 -63.08 1.39 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.108 -0.496 . . . . 15.0 111.303 -178.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -147.24 150.85 35.65 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.51 -0.552 . . . . 15.0 109.51 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -135.47 163.36 30.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.267 0.555 . . . . 15.0 111.668 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -88.29 161.75 16.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.061 -0.972 . . . . 15.0 111.928 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.3 t -119.48 137.7 53.62 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.655 -0.869 . . . . 15.0 108.655 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -97.92 107.76 20.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.985 0.421 . . . . 15.0 111.144 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.6 mt -123.54 128.34 25.24 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.758 -0.656 . . . . 15.0 110.254 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.63 127.4 23.52 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.891 2.394 . . . . 15.0 113.04 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.95 168.09 9.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.774 -0.648 . . . . 15.0 110.418 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 23.0 m -76.59 150.16 36.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.672 0.272 . . . . 15.0 110.744 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.86 -22.16 46.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.114 -0.494 . . . . 15.0 111.578 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.649 -0.691 . . . . 15.0 110.984 -179.581 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 111.771 -0.532 . . . . 15.0 111.771 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 14.3 t -123.65 -167.68 1.66 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.412 -0.588 . . . . 15.0 109.412 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 2.8 p -72.05 88.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 122.265 1.031 . . . . 15.0 109.793 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -105.74 39.92 1.67 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.952 -1.022 . . . . 15.0 111.05 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -58.68 -45.7 88.85 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.7 -0.682 . . . . 15.0 110.984 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -84.16 62.56 7.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.269 -0.423 . . . . 15.0 110.148 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.455 ' O ' ' HB2' ' B' ' 111' ' ' GLU . 0.2 OUTLIER -66.27 -58.76 4.67 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.022 -0.535 . . . . 15.0 111.848 -179.088 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.35 -35.17 31.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.446 -0.343 . . . . 15.0 111.867 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.28 -49.84 75.44 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.136 -0.484 . . . . 15.0 111.748 -178.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.24 -25.89 58.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.717 0.294 . . . . 15.0 111.048 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' B' ' 107' ' ' THR . 38.8 tt0 -56.87 -50.19 73.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.011 -0.541 . . . . 15.0 110.683 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 42.4 mt -68.51 -39.32 81.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.806 -0.633 . . . . 15.0 110.62 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -62.11 -51.1 69.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.118 -0.492 . . . . 15.0 111.182 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -62.81 -42.84 99.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.715 -0.221 . . . . 15.0 110.654 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 14.4 tp -56.84 -50.94 70.91 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.16 -0.473 . . . . 15.0 110.308 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -65.74 -42.49 90.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.797 -0.638 . . . . 15.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -60.42 -39.84 88.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.525 -0.307 . . . . 15.0 111.091 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -67.08 -40.1 86.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.637 -0.256 . . . . 15.0 110.695 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.2 -37.95 69.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.175 0.512 . . . . 15.0 110.612 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.92 -19.0 60.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.259 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -58.5 -17.12 18.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 15.0 111.803 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -69.34 -56.0 8.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.543 -0.299 . . . . 15.0 111.076 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -153.54 -25.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.36 0.504 . . . . 15.0 112.36 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -80.91 15.83 1.67 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.729 0.3 . . . . 15.0 111.58 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 15.8 tp -65.0 -27.94 69.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.882 0.372 . . . . 15.0 110.587 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.492 ' HA ' ' HE3' ' B' ' 129' ' ' LYS . 62.5 mm-40 -66.33 -44.31 83.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.354 0.597 . . . . 15.0 109.598 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 66.8 ttp85 -70.32 -32.49 70.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.671 -0.695 . . . . 15.0 109.885 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.79 -39.93 93.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.481 -0.782 . . . . 15.0 110.038 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.492 ' HE3' ' HA ' ' B' ' 126' ' ' GLU . 21.5 mtmt -62.39 -55.91 23.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 15.0 110.868 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 14.7 m -60.6 -36.3 78.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.916 -0.584 . . . . 15.0 111.51 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -66.47 -36.94 84.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.419 -0.355 . . . . 15.0 110.669 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -30.55 69.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 15.0 110.826 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -67.3 -47.77 69.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.743 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 134' ' ' ASP . . . . . 0.596 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 18.2 t70 -73.19 -39.42 65.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.143 -0.481 . . . . 15.0 111.368 -178.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -62.98 -32.19 73.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.524 -0.307 . . . . 15.0 111.352 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.43 -46.74 78.74 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.921 0.341 . . . . 15.0 111.921 -178.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 137' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 6.3 ptpt -63.91 -27.9 69.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.759 0.314 . . . . 15.0 110.76 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -80.4 -34.75 36.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.246 0.546 . . . . 15.0 109.957 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -65.29 -41.09 94.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.539 -0.755 . . . . 15.0 110.891 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.55 -27.88 68.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.336 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.79 -35.98 62.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 15.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' B' ' 142' ' ' ARG . 15.7 ttp85 -82.54 -48.15 11.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.35 -0.386 . . . . 15.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -57.82 -27.09 62.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.995 -0.548 . . . . 15.0 112.308 -178.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -58.88 -45.04 91.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.865 0.364 . . . . 15.0 110.949 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.23 -34.64 15.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.253 -0.43 . . . . 15.0 110.841 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -59.35 -53.56 56.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.708 -0.678 . . . . 15.0 111.869 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.45 -20.89 62.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.253 0.549 . . . . 15.0 111.123 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -77.65 -34.53 53.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.847 -0.615 . . . . 15.0 110.392 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 11.8 tp -85.21 -45.37 12.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.942 -0.572 . . . . 15.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -112.74 107.72 16.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.262 -0.426 . . . . 15.0 110.599 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -69.37 -31.79 70.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 15.0 110.895 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.325 -0.845 . . . . 15.0 110.096 179.334 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 120.836 0.351 . . . . 15.0 110.299 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.8 m -124.55 165.37 21.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.657 -0.497 . . . . 15.0 109.657 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -78.95 -27.71 43.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.873 0.368 . . . . 15.0 110.805 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -100.15 96.58 7.59 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.121 0.486 . . . . 15.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -100.38 142.55 31.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.005 -0.543 . . . . 15.0 110.004 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -134.32 111.29 10.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.857 0.361 . . . . 15.0 111.076 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -152.01 167.07 29.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.237 -0.438 . . . . 15.0 110.647 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 69.6 m -147.8 139.69 24.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.469 . . . . 15.0 110.093 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 19.1 mmt -115.02 161.86 17.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.931 0.396 . . . . 15.0 111.321 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -77.79 97.03 5.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.726 -0.67 . . . . 15.0 111.517 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 46.73 -112.71 0.96 Allowed Glycine 0 C--N 1.333 0.391 0 CA-C-N 115.913 -0.585 . . . . 15.0 114.123 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.565 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -66.64 -29.89 70.03 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.096 0.406 . . . . 15.0 112.096 -178.844 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.6 59.47 8.18 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.925 -0.655 . . . . 15.0 112.098 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -35.37 71.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.033 0.444 . . . . 15.0 110.303 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -87.79 27.38 1.16 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.83 -0.623 . . . . 15.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -74.38 117.03 15.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.808 -0.633 . . . . 15.0 110.311 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -125.9 32.25 5.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.332 0.587 . . . . 15.0 110.007 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.81 161.64 54.28 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.451 -0.795 . . . . 15.0 112.275 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -90.21 104.99 17.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.044 0.449 . . . . 15.0 110.894 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 tt -159.22 128.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.703 -0.68 . . . . 15.0 109.923 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.32 25.48 6.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.883 -0.598 . . . . 15.0 110.58 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -131.9 152.85 50.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.852 -0.613 . . . . 15.0 110.266 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.7 p -92.04 175.62 6.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.302 -0.408 . . . . 15.0 110.919 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -67.04 -19.01 65.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.657 0.265 . . . . 15.0 111.076 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -88.96 -0.99 57.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.86 0.362 . . . . 15.0 110.964 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.83 21.38 66.12 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.879 -0.677 . . . . 15.0 112.558 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.3 mt -96.28 155.18 16.87 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.317 -0.253 . . . . 15.0 110.317 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -74.26 141.98 45.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.138 0.494 . . . . 15.0 111.16 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.636 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 36.9 t -91.41 138.57 31.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.771 -0.649 . . . . 15.0 110.792 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -85.14 146.16 27.26 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.071 -0.714 . . . . 15.0 109.071 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -71.74 142.97 49.76 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 121.122 -0.231 . . . . 15.0 110.466 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -66.02 -24.48 66.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.069 0.461 . . . . 15.0 110.882 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -104.07 13.79 31.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.062 -0.517 . . . . 15.0 110.959 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.504 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 30.5 t -70.47 166.6 20.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 15.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -122.78 17.38 10.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.903 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.0 m -66.32 144.48 98.72 Favored Pre-proline 0 C--O 1.235 0.319 0 N-CA-C 105.895 -1.891 . . . . 15.0 105.895 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.412 ' CG ' ' HB3' ' B' ' 102' ' ' SER . 2.9 Cg_endo -76.25 98.9 1.23 Allowed 'Trans proline' 0 N--CA 1.448 -1.175 0 CA-C-N 120.091 1.068 . . . . 15.0 114.285 -174.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.442 ' NE2' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -124.35 164.08 20.38 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 113.443 -1.708 . . . . 15.0 108.181 174.445 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.56 112.53 24.92 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 119.457 -0.897 . . . . 15.0 109.267 177.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -170.6 -177.5 2.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.669 0.271 . . . . 15.0 111.265 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.51 35.25 0.75 Allowed Glycine 0 C--N 1.33 0.236 0 C-N-CA 121.033 -0.603 . . . . 15.0 111.828 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -106.77 112.49 25.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.883 0.373 . . . . 15.0 110.805 -179.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.8 mm -116.59 136.56 23.18 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.813 -0.63 . . . . 15.0 109.477 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -50.47 -33.58 38.72 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.821 2.347 . . . . 15.0 112.859 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 m -68.08 -22.63 64.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.356 . . . . 15.0 111.065 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -90.2 -12.69 37.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 15.0 110.469 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -136.49 60.71 33.47 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.42 -11.37 15.86 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.236 1.957 . . . . 15.0 111.666 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.2 p-10 -89.93 -7.47 54.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.436 -0.802 . . . . 15.0 110.566 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -106.94 2.94 25.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 15.0 110.306 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 56.8 t30 53.88 54.91 9.08 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.465 -0.789 . . . . 15.0 111.856 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 mp -84.3 110.08 18.31 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.47 -0.567 . . . . 15.0 109.47 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -142.84 143.61 32.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.55 -0.295 . . . . 15.0 110.812 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 53.16 -136.44 1.37 Allowed 'General case' 0 CA--C 1.532 0.264 0 O-C-N 123.855 0.722 . . . . 15.0 111.762 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -121.43 46.65 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.186 0.517 . . . . 15.0 110.878 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -97.17 145.23 26.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.244 -0.435 . . . . 15.0 110.559 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 41.2 t -63.09 131.26 47.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 15.0 110.549 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -137.56 164.31 29.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 15.0 110.565 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -126.43 81.85 67.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.024 -0.732 . . . . 15.0 109.024 178.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -86.87 -2.44 8.14 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.537 2.158 . . . . 15.0 113.63 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.493 ' OD2' ' HG3' ' B' ' 129' ' ' LYS . 32.2 t70 -107.63 -11.94 15.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.716 0.293 . . . . 15.0 111.609 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' A' ' 62' ' ' ARG . 31.4 mtm105 65.63 32.29 9.28 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.474 -0.565 . . . . 15.0 109.474 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -78.04 -171.95 2.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.637 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.458 ' O ' ' HA ' ' A' ' 12' ' ' SER . 54.9 mt -50.72 -41.94 56.73 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.906 0.706 . . . . 15.0 112.906 -178.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.536 ' HD2' ' O ' ' A' ' 80' ' ' CYS . 17.4 ptt180 -162.87 149.55 10.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.559 0.219 . . . . 15.0 111.372 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.565 ' HD3' ' O ' ' A' ' 12' ' ' SER . 58.5 Cg_exo -50.5 148.5 15.01 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.298 2.665 . . . . 15.0 113.727 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -138.18 177.9 7.53 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.951 -1.022 . . . . 15.0 109.305 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.636 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -160.82 149.77 16.71 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 121.044 -0.263 . . . . 15.0 111.008 179.724 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.548 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 56.6 m-85 -74.78 146.14 42.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 15.0 110.051 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.58 158.95 16.14 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.582 -0.281 . . . . 15.0 110.829 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 p -90.32 -3.51 57.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.248 0.547 . . . . 15.0 110.705 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -76.51 126.56 86.04 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.382 -0.827 . . . . 15.0 110.657 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -62.07 -17.98 59.19 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.763 2.309 . . . . 15.0 113.197 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -94.56 1.41 55.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.321 -0.4 . . . . 15.0 111.828 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.33 119.04 6.11 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.952 -0.299 . . . . 15.0 110.637 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.504 HH22 ' HB3' ' B' ' 139' ' ' GLU . 34.3 mtm-85 -72.41 -43.88 63.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.445 -0.343 . . . . 15.0 110.821 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.548 ' HB3' ' CD1' ' A' ' 69' ' ' PHE . 51.9 p-90 -154.93 163.5 40.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.139 -0.482 . . . . 15.0 110.028 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -139.65 167.16 22.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.878 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -81.96 160.01 23.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.488 -0.778 . . . . 15.0 110.581 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.536 ' O ' ' HD2' ' A' ' 65' ' ' ARG . 7.4 t -119.4 143.26 47.55 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.351 -0.611 . . . . 15.0 109.351 178.436 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -103.47 108.91 20.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.99 0.424 . . . . 15.0 110.413 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.8 mt -127.98 129.49 23.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.828 -0.624 . . . . 15.0 109.895 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -65.35 126.65 16.66 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.661 2.24 . . . . 15.0 112.234 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.75 155.85 18.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.509 -0.314 . . . . 15.0 110.756 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 55.7 m -69.01 153.92 42.97 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.392 -0.367 . . . . 15.0 110.169 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.63 -26.08 63.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.195 0.521 . . . . 15.0 110.576 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.415 -0.802 . . . . 15.0 109.906 179.643 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 111.847 -0.501 . . . . 15.0 111.847 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 102' ' ' SER . . . . . 0.412 ' HB3' ' CG ' ' A' ' 37' ' ' PRO . 19.5 m -126.21 -177.87 4.12 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.915 -0.402 . . . . 15.0 109.915 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 5.2 p -72.58 101.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.778 0.799 . . . . 15.0 109.954 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -109.3 28.89 8.06 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.448 -0.796 . . . . 15.0 110.618 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -64.65 -42.09 95.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.71 -0.677 . . . . 15.0 110.725 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.478 ' HB3' ' HB2' ' B' ' 109' ' ' ASP . 2.6 mm? -96.55 62.98 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.879 -0.6 . . . . 15.0 110.386 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -43.44 98.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.008 -0.542 . . . . 15.0 111.554 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.65 -50.15 73.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.247 -0.433 . . . . 15.0 111.444 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ASP . . . . . 0.478 ' HB2' ' HB3' ' B' ' 106' ' ' LEU . 14.2 m-20 -60.55 -43.7 96.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.255 -0.43 . . . . 15.0 111.159 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.13 -48.49 81.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.98 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -62.73 -47.57 82.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 15.0 111.322 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 92.2 mt -58.96 -42.03 88.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.519 -0.31 . . . . 15.0 111.316 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -70.14 -44.9 67.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.208 -0.451 . . . . 15.0 110.19 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -60.17 -47.29 86.57 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.708 -0.678 . . . . 15.0 111.104 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 32.4 tp -62.63 -45.41 92.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 15.0 110.525 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -62.99 -46.68 86.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.867 -0.606 . . . . 15.0 111.109 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -60.98 -38.52 86.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.229 -0.442 . . . . 15.0 110.691 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -66.12 -39.86 90.23 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.013 -0.539 . . . . 15.0 111.084 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.62 -32.24 62.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.032 0.444 . . . . 15.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -81.17 -18.44 46.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.825 -0.625 . . . . 15.0 111.561 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -51.4 -27.43 10.04 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.093 -0.503 . . . . 15.0 112.245 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -58.76 -63.09 1.42 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.545 -0.298 . . . . 15.0 111.367 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -148.9 -29.87 0.27 Allowed 'General case' 0 C--O 1.233 0.229 0 N-CA-C 111.777 0.288 . . . . 15.0 111.777 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.1 -1.47 2.18 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.395 -0.366 . . . . 15.0 111.835 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 14.7 tp -60.32 -23.84 64.52 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.052 0.454 . . . . 15.0 110.291 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.581 ' HA ' ' HE2' ' B' ' 129' ' ' LYS . 32.9 mm-40 -65.4 -43.93 89.09 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.761 -0.654 . . . . 15.0 109.674 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 62.6 ttp85 -81.15 -26.44 36.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.882 -0.599 . . . . 15.0 110.149 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -54.19 -50.5 66.92 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.604 -0.726 . . . . 15.0 111.074 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.581 ' HE2' ' HA ' ' B' ' 126' ' ' GLU . 23.4 pttt -67.76 -37.28 81.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.625 -0.261 . . . . 15.0 111.476 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 1.7 m -67.22 -38.63 85.57 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.387 0.613 . . . . 15.0 110.296 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -65.53 -32.67 74.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.619 -0.718 . . . . 15.0 110.002 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -43.38 71.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.684 -0.689 . . . . 15.0 110.965 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 133' ' ' HIS . . . . . 0.417 ' O ' ' HE3' ' B' ' 137' ' ' LYS . 51.2 m80 -57.6 -52.75 64.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.061 -0.518 . . . . 15.0 112.235 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.57 -29.03 62.17 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.052 0.39 . . . . 15.0 112.052 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -77.62 -38.7 47.47 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.335 0.494 . . . . 15.0 112.335 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -62.75 -44.49 96.06 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.879 0.326 . . . . 15.0 111.879 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 137' ' ' LYS . . . . . 0.417 ' HE3' ' O ' ' B' ' 133' ' ' HIS . 17.3 ptpt -61.84 -25.58 67.61 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.997 0.427 . . . . 15.0 110.669 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -85.59 -42.53 14.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.133 0.492 . . . . 15.0 109.702 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 139' ' ' GLU . . . . . 0.504 ' HB3' HH22 ' A' ' 76' ' ' ARG . 0.9 OUTLIER -58.68 -40.31 83.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.326 -0.852 . . . . 15.0 110.355 179.615 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.96 -33.36 74.16 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.947 -0.569 . . . . 15.0 111.307 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -72.6 -38.43 67.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.216 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -71.55 -47.74 53.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.829 -0.623 . . . . 15.0 110.41 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 143' ' ' LYS . . . . . 0.466 ' HE3' ' HG ' ' B' ' 106' ' ' LEU . 36.8 mmtm -61.0 -23.21 65.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.92 -0.582 . . . . 15.0 112.55 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -57.39 -54.2 49.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.979 0.419 . . . . 15.0 110.997 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -89.8 -28.23 19.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.155 -0.475 . . . . 15.0 111.387 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -63.71 -53.96 43.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.701 -0.227 . . . . 15.0 111.586 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -68.96 -26.26 64.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.021 0.439 . . . . 15.0 111.31 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -76.48 -39.28 53.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.234 -0.439 . . . . 15.0 110.543 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 5.3 tp -75.67 -56.62 4.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.064 -0.516 . . . . 15.0 110.39 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -87.83 110.89 20.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.787 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -84.69 -46.06 11.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.129 -0.487 . . . . 15.0 110.166 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.97 -0.538 . . . . 15.0 109.662 178.934 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.999 0.428 . . . . 15.0 110.133 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.9 m -107.19 145.38 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 15.0 111.386 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.4 -30.89 71.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.756 -0.657 . . . . 15.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -96.31 107.73 20.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.061 -0.518 . . . . 15.0 111.236 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.41 143.86 44.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.068 -0.515 . . . . 15.0 110.089 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -141.92 115.66 9.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.681 0.277 . . . . 15.0 110.517 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -164.1 169.06 18.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.939 -0.573 . . . . 15.0 110.003 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.1 m -145.72 144.0 30.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.525 -0.307 . . . . 15.0 110.608 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.1 mmt -115.2 166.13 12.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.749 -0.205 . . . . 15.0 110.52 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -81.17 95.59 6.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.77 0.319 . . . . 15.0 111.171 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 47.56 -109.53 0.46 Allowed Glycine 0 CA--C 1.517 0.198 0 CA-C-N 115.456 -0.793 . . . . 15.0 114.07 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.7 m -71.63 -33.76 69.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.807 0.337 . . . . 15.0 111.24 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.19 61.38 4.28 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.549 -0.834 . . . . 15.0 112.024 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -63.76 -31.84 73.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.4 0.619 . . . . 15.0 110.336 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -96.02 28.39 3.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.285 -0.871 . . . . 15.0 111.029 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -67.16 109.18 2.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.951 0.405 . . . . 15.0 110.644 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -112.26 16.22 20.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.308 0.575 . . . . 15.0 110.141 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.47 145.66 48.92 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.655 -0.702 . . . . 15.0 111.762 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -83.53 105.76 14.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.001 0.429 . . . . 15.0 110.501 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.4 tt -155.88 133.42 2.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.769 -0.65 . . . . 15.0 109.899 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.99 35.82 4.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.209 0.528 . . . . 15.0 110.667 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -133.3 148.8 51.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.953 -0.567 . . . . 15.0 110.664 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.424 HG21 ' HB2' ' A' ' 78' ' ' GLU . 5.6 p -95.47 -175.87 3.6 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.855 -0.611 . . . . 15.0 110.421 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -64.89 -24.2 67.46 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.679 0.276 . . . . 15.0 111.309 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.01 3.34 51.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.971 0.415 . . . . 15.0 110.929 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.26 12.03 84.5 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.797 -0.716 . . . . 15.0 112.376 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.4 mt -73.03 153.74 40.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.854 0.359 . . . . 15.0 110.767 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.65 137.32 56.63 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.567 -0.742 . . . . 15.0 111.674 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.471 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 7.1 t -99.18 130.63 45.5 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.496 -0.774 . . . . 15.0 110.16 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -83.88 147.09 27.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.981 -0.554 . . . . 15.0 110.048 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.567 ' HB3' ' OG ' ' A' ' 34' ' ' SER . . . -72.28 148.88 45.0 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 120.904 0.383 . . . . 15.0 110.507 179.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -70.6 -19.96 62.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.162 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -103.51 12.01 35.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.897 -0.592 . . . . 15.0 111.514 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.567 ' OG ' ' HB3' ' A' ' 31' ' ' ALA . 57.7 m -75.08 142.84 43.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.745 0.307 . . . . 15.0 110.595 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -101.37 19.0 18.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.953 0.406 . . . . 15.0 110.962 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.61 144.27 97.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 N-CA-C 106.655 -1.609 . . . . 15.0 106.655 177.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -70.9 102.6 1.23 Allowed 'Trans proline' 0 N--CA 1.456 -0.684 0 CA-C-N 120.397 1.177 . . . . 15.0 112.663 -177.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -119.69 163.17 17.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.088 -1.415 . . . . 15.0 108.373 176.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.81 111.86 24.75 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.308 -0.997 . . . . 15.0 108.308 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -172.48 -176.46 1.55 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.049 0.452 . . . . 15.0 111.168 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -146.79 33.32 1.4 Allowed Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.577 -0.738 . . . . 15.0 111.513 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -113.03 105.13 13.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.067 0.46 . . . . 15.0 111.584 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.9 mm -106.11 134.75 19.62 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.067 -0.716 . . . . 15.0 109.067 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -51.42 -31.58 39.15 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.043 2.496 . . . . 15.0 113.741 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -75.44 -8.83 57.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.949 0.404 . . . . 15.0 111.621 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -92.95 -22.37 19.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 15.0 110.28 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -134.0 64.55 66.81 Favored Pre-proline 0 C--O 1.235 0.333 0 CA-C-N 116.125 -0.489 . . . . 15.0 110.666 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.44 -10.89 18.98 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.207 1.938 . . . . 15.0 112.223 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -85.19 -20.36 30.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 15.0 111.024 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -92.45 3.19 55.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.064 0.459 . . . . 15.0 110.632 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.6 t30 54.7 60.8 3.29 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 114.987 -1.006 . . . . 15.0 112.11 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.59 109.23 19.5 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.877 -0.786 . . . . 15.0 108.877 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -146.25 144.83 30.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.447 -0.342 . . . . 15.0 110.417 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt 55.08 -146.39 0.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.789 0.681 . . . . 15.0 112.198 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.522 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 29.9 p-10 -113.18 38.15 2.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.034 0.445 . . . . 15.0 111.722 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -90.94 141.68 28.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.242 -0.435 . . . . 15.0 110.354 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 10.6 t -59.14 129.63 43.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.319 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 58' ' ' ARG . 3.1 mmp_? -136.57 169.86 17.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.146 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -142.58 85.22 10.48 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.263 0.554 . . . . 15.0 110.083 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -87.04 -3.89 7.95 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 122.439 2.092 . . . . 15.0 112.377 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.572 ' OD1' ' HB3' ' A' ' 63' ' ' ASP . 24.7 t70 -91.48 -24.81 19.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.251 -0.432 . . . . 15.0 110.779 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.0 mtm105 73.77 25.04 2.04 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.675 -0.693 . . . . 15.0 109.824 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.572 ' HB3' ' OD1' ' A' ' 61' ' ' ASP . 2.3 p-10 -75.65 -171.92 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.749 -0.66 . . . . 15.0 112.149 -179.034 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.6 mp -56.84 -36.31 69.86 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.403 1.26 . . . . 15.0 114.403 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.429 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 17.4 ptt180 -157.13 148.53 16.91 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 118.648 0.658 . . . . 15.0 112.244 -178.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 65' ' ' ARG . 31.1 Cg_exo -58.67 148.55 81.81 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.966 2.444 . . . . 15.0 112.608 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 18.1 p-90 -144.17 176.53 9.25 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.433 -0.803 . . . . 15.0 110.05 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.471 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -159.77 155.86 26.61 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.208 -0.451 . . . . 15.0 110.191 179.364 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -77.81 135.26 37.93 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.307 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.81 149.45 21.83 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.22 -16.56 45.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.238 -0.437 . . . . 15.0 111.235 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.442 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -64.35 126.93 91.5 Favored Pre-proline 0 C--N 1.332 -0.161 0 CA-C-N 116.024 -0.535 . . . . 15.0 110.694 -179.559 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 35.1 Cg_exo -59.77 -11.64 15.42 Favored 'Trans proline' 0 CA--C 1.535 0.561 0 C-N-CA 123.191 2.594 . . . . 15.0 114.921 -178.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -102.25 -5.07 24.73 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.138 0.421 . . . . 15.0 112.138 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -133.09 132.49 41.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.137 0.494 . . . . 15.0 111.33 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 76' ' ' ARG . 0.9 OUTLIER -84.19 -58.81 2.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.214 0.53 . . . . 15.0 110.083 179.752 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 24.1 p-90 -148.67 145.11 27.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.741 -0.663 . . . . 15.0 109.768 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.424 ' HB2' HG21 ' A' ' 23' ' ' THR . 15.9 mm-40 -128.07 148.46 50.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.316 -0.402 . . . . 15.0 110.247 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -79.12 159.49 27.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.05 -0.523 . . . . 15.0 110.744 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.1 t -121.67 133.42 54.96 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.217 -0.66 . . . . 15.0 109.217 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -96.0 113.86 25.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.825 0.345 . . . . 15.0 110.526 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.0 mt -119.85 129.75 25.19 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.907 -0.588 . . . . 15.0 109.736 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -49.43 123.39 10.23 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.113 2.542 . . . . 15.0 112.809 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -104.98 167.35 9.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.822 -0.626 . . . . 15.0 110.624 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 10.4 m -82.71 157.72 23.19 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.733 -0.469 . . . . 15.0 109.733 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.5 -41.96 68.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.873 0.368 . . . . 15.0 110.361 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.423 -0.799 . . . . 15.0 110.411 179.65 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.828 -0.509 . . . . 15.0 111.828 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.0 t -144.46 -150.66 0.33 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.481 -0.563 . . . . 15.0 109.481 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 4.2 p -74.03 76.92 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 122.414 1.102 . . . . 15.0 110.109 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.28 -8.28 48.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.153 -0.93 . . . . 15.0 111.2 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -60.5 -38.59 84.82 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.164 0.507 . . . . 15.0 110.257 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -85.5 73.5 10.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.688 -0.687 . . . . 15.0 109.269 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.61 -65.72 0.96 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.075 -0.511 . . . . 15.0 111.838 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.61 -49.43 77.53 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.605 0.594 . . . . 15.0 112.605 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -61.68 -45.94 91.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.505 -0.316 . . . . 15.0 111.624 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.37 90.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.577 -0.283 . . . . 15.0 110.98 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -62.0 -53.53 54.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.042 -0.527 . . . . 15.0 110.523 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.66 -43.09 99.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.09 -0.505 . . . . 15.0 111.067 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -63.17 -46.31 87.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 15.0 111.078 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -66.23 -44.51 83.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.502 -0.317 . . . . 15.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 16.9 tp -55.85 -51.22 68.27 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.74 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -65.44 -41.34 93.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.898 -0.592 . . . . 15.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -61.77 -45.66 92.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.453 -0.339 . . . . 15.0 110.812 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -58.89 -38.05 77.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.969 0.414 . . . . 15.0 111.481 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.84 -41.04 53.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.987 0.422 . . . . 15.0 110.577 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.33 -24.95 63.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.913 -0.585 . . . . 15.0 111.843 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -56.46 -17.49 8.36 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.111 0.411 . . . . 15.0 112.111 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -60.84 -65.76 0.64 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 120.711 0.291 . . . . 15.0 110.418 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -145.1 -18.53 0.5 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.708 0.289 . . . . 15.0 111.776 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -84.0 11.95 7.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.699 -0.228 . . . . 15.0 111.116 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 23.9 tp -59.84 -32.8 71.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.877 0.37 . . . . 15.0 111.126 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -65.37 -40.05 93.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 15.0 110.462 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 -82.15 -28.55 32.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.268 -0.424 . . . . 15.0 110.445 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -58.87 -50.38 74.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.911 -0.586 . . . . 15.0 110.718 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' B' ' 130' ' ' SER . 1.0 OUTLIER -62.31 -33.8 75.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 15.0 110.974 -179.057 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 130' ' ' SER . . . . . 0.44 ' N ' ' HG2' ' B' ' 129' ' ' LYS . 52.2 m -77.22 -34.57 56.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.931 0.396 . . . . 15.0 110.592 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -46.87 82.26 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.288 -0.634 . . . . 15.0 109.288 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -64.02 -32.81 74.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.426 -0.806 . . . . 15.0 110.364 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.55 -43.3 93.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.062 -0.517 . . . . 15.0 110.702 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 134' ' ' ASP . . . . . 0.54 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 30.3 t70 -82.29 -27.06 32.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.097 0.475 . . . . 15.0 111.294 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -74.66 -41.99 59.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.091 -0.504 . . . . 15.0 111.311 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 136' ' ' ASP . . . . . 0.423 ' HA ' ' HB2' ' B' ' 139' ' ' GLU . 0.4 OUTLIER -64.41 -36.08 82.98 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.145 0.424 . . . . 15.0 112.145 -178.857 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 137' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 7.3 ptpt -65.53 -28.08 68.92 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.109 0.481 . . . . 15.0 110.502 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -85.75 -38.79 17.87 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 108.942 -0.762 . . . . 15.0 108.942 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 139' ' ' GLU . . . . . 0.423 ' HB2' ' HA ' ' B' ' 136' ' ' ASP . 0.3 OUTLIER -56.95 -33.28 66.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.622 -1.172 . . . . 15.0 110.801 179.294 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.17 -50.41 67.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 15.0 111.411 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.07 -40.86 67.98 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.331 -0.395 . . . . 15.0 110.648 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -59.52 -46.41 88.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.963 0.411 . . . . 15.0 110.368 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -66.05 -30.52 71.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.013 -0.54 . . . . 15.0 111.014 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 144' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' B' ' 148' ' ' LYS . . . -58.33 -38.92 78.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.57 -0.287 . . . . 15.0 111.043 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 145' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' B' ' 145' ' ' LEU . 2.3 mm? -90.86 -43.68 9.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.888 0.375 . . . . 15.0 111.161 179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -61.21 -55.07 36.38 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.47 0.544 . . . . 15.0 112.47 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.1 -22.0 65.83 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.97 0.414 . . . . 15.0 111.572 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 148' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' B' ' 144' ' ' ALA . 76.7 tttt -79.7 -36.73 37.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.219 -0.446 . . . . 15.0 110.961 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 50.1 tp -81.32 -49.2 11.0 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.221 -0.445 . . . . 15.0 110.749 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -85.77 113.9 22.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.129 -0.487 . . . . 15.0 110.023 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -90.17 -9.8 46.84 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.155 -0.475 . . . . 15.0 110.525 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.815 -0.612 . . . . 15.0 109.94 179.246 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 120.695 0.283 . . . . 15.0 110.935 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.4 m -93.9 174.74 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.662 0.267 . . . . 15.0 111.2 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -83.59 -55.09 4.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.857 0.36 . . . . 15.0 110.156 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -72.34 99.88 2.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.869 -0.605 . . . . 15.0 110.592 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 m -118.13 143.56 46.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.807 -0.633 . . . . 15.0 109.833 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -137.11 122.37 19.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.406 -0.361 . . . . 15.0 110.441 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -160.43 157.96 28.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.322 -0.399 . . . . 15.0 110.83 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.3 m -134.99 154.33 51.77 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.102 -0.499 . . . . 15.0 109.794 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 19.6 mmt -114.56 163.11 15.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.654 0.264 . . . . 15.0 110.71 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -85.18 96.96 9.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.099 -0.501 . . . . 15.0 111.58 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.64 -108.74 0.5 Allowed Glycine 0 C--N 1.331 0.286 0 CA-C-N 115.401 -0.818 . . . . 15.0 114.293 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.7 t -72.3 -45.12 61.38 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 122.459 0.304 . . . . 15.0 111.215 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.6 50.17 4.09 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.326 -0.94 . . . . 15.0 111.744 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -66.03 -36.8 84.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.356 0.598 . . . . 15.0 110.052 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -95.82 28.09 3.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.332 -0.849 . . . . 15.0 111.241 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -70.59 108.05 4.17 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.997 0.427 . . . . 15.0 110.197 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -107.66 31.97 5.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.498 0.666 . . . . 15.0 109.297 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.13 160.9 46.74 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.454 -0.794 . . . . 15.0 112.351 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -92.67 111.06 22.52 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.889 0.375 . . . . 15.0 110.467 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 57' ' ' CYS . 14.1 tt -162.05 132.71 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.043 -0.526 . . . . 15.0 109.844 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.96 22.74 4.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.249 -0.432 . . . . 15.0 110.991 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -132.05 135.04 46.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.331 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.41 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 21.8 p -76.95 -175.33 3.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.3 -0.409 . . . . 15.0 111.13 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -62.13 -29.14 70.13 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.724 0.297 . . . . 15.0 111.26 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.36 1.87 53.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.821 0.343 . . . . 15.0 111.014 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.01 15.14 81.53 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.834 -0.698 . . . . 15.0 112.911 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 42.3 mt -78.17 149.79 33.68 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.019 -0.363 . . . . 15.0 110.019 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -74.82 130.9 40.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.159 0.504 . . . . 15.0 111.451 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.697 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 17.3 t -82.92 140.36 32.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.681 -0.691 . . . . 15.0 111.024 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -85.6 145.17 27.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.639 -0.71 . . . . 15.0 109.281 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.744 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -69.54 137.67 52.64 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.097 -0.334 . . . . 15.0 110.097 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -63.27 -23.02 67.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.049 0.452 . . . . 15.0 110.663 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -102.02 6.96 41.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.065 -0.516 . . . . 15.0 111.472 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.744 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 23.8 t -86.19 138.93 31.51 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.9 -0.407 . . . . 15.0 109.9 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -94.0 36.89 1.1 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.023 0.439 . . . . 15.0 111.785 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.1 140.24 95.71 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 105.387 -2.079 . . . . 15.0 105.387 176.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -73.9 99.16 1.13 Allowed 'Trans proline' 0 N--CA 1.452 -0.946 0 CA-C-N 120.732 1.297 . . . . 15.0 113.511 -176.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.35 164.24 18.31 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 113.304 -1.771 . . . . 15.0 108.144 175.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.27 110.93 23.02 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.883 -1.154 . . . . 15.0 107.883 176.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -172.32 -176.29 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.724 0.297 . . . . 15.0 111.118 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -147.6 31.02 1.39 Allowed Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.467 -0.653 . . . . 15.0 111.467 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -94.31 114.52 26.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.937 0.398 . . . . 15.0 110.849 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.451 HG22 ' H ' ' A' ' 45' ' ' SER . 49.5 mm -116.19 131.76 23.62 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.06 -0.718 . . . . 15.0 109.06 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -52.09 -37.55 68.99 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.735 2.29 . . . . 15.0 112.832 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.451 ' H ' HG22 ' A' ' 43' ' ' ILE . 23.5 m -72.51 -14.48 61.66 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.349 -0.387 . . . . 15.0 111.458 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.432 ' HD3' ' HB ' ' A' ' 43' ' ' ILE . 50.5 mtpt -86.21 -23.15 26.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 15.0 110.683 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -132.16 61.54 58.27 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 116.241 -0.436 . . . . 15.0 111.13 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.32 -13.59 20.72 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.129 1.886 . . . . 15.0 111.665 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -82.08 -11.16 58.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.494 -0.775 . . . . 15.0 111.023 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -108.3 9.23 27.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.231 0.539 . . . . 15.0 110.351 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.8 t30 50.9 59.53 4.54 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 114.946 -1.025 . . . . 15.0 112.532 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.6 mp -81.34 111.01 17.32 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.148 -0.686 . . . . 15.0 109.148 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -141.55 133.78 27.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.841 0.353 . . . . 15.0 111.465 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 51.99 -134.19 1.68 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.293 -0.867 . . . . 15.0 111.827 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -115.32 40.92 2.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.426 0.631 . . . . 15.0 110.873 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -91.85 136.93 32.78 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.835 -0.621 . . . . 15.0 110.353 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.443 ' HB3' HG23 ' A' ' 20' ' ' ILE . 45.0 t -63.15 132.42 51.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.921 -0.581 . . . . 15.0 111.048 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -139.72 163.97 31.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.509 -0.769 . . . . 15.0 109.93 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -124.68 82.55 59.63 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 108.441 -0.948 . . . . 15.0 108.441 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.47 -10.75 14.59 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.48 2.12 . . . . 15.0 113.883 -177.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.487 ' OD2' ' HB3' ' B' ' 129' ' ' LYS . 8.0 t70 -110.18 0.97 18.44 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.087 -0.645 . . . . 15.0 112.365 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 56.57 37.51 28.88 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.147 -0.479 . . . . 15.0 111.109 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -80.9 -170.09 2.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.301 -0.409 . . . . 15.0 111.014 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 89.0 mt -50.61 -42.44 56.01 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.537 0.94 . . . . 15.0 113.537 -178.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.452 ' HD3' ' O ' ' A' ' 80' ' ' CYS . 12.0 ptp180 -157.89 148.92 16.41 Favored Pre-proline 0 C--N 1.33 -0.244 0 C-N-CA 120.629 -0.428 . . . . 15.0 111.885 -178.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.431 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 13.9 Cg_endo -57.77 146.06 87.39 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.819 2.346 . . . . 15.0 112.574 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 21.7 p-90 -146.04 -176.04 4.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.472 -0.786 . . . . 15.0 109.618 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.697 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 1.1 p -166.93 155.02 9.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.509 -0.314 . . . . 15.0 110.657 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -73.26 143.63 46.98 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.803 -0.443 . . . . 15.0 109.803 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.93 176.87 6.09 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.489 -0.323 . . . . 15.0 111.598 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.24 5.17 19.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.595 0.712 . . . . 15.0 109.735 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.411 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 1.6 m-20 -84.71 130.25 53.81 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 114.844 -1.071 . . . . 15.0 110.341 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 18.9 Cg_exo -65.22 -13.43 39.72 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.432 2.088 . . . . 15.0 112.734 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -108.37 1.55 21.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.407 -0.361 . . . . 15.0 111.681 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -132.31 114.9 14.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.683 0.278 . . . . 15.0 110.751 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -68.67 -63.73 1.0 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.331 0.586 . . . . 15.0 110.098 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 45.1 p-90 -156.24 146.15 21.19 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.641 -0.709 . . . . 15.0 109.443 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -127.1 159.88 32.86 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.866 0.365 . . . . 15.0 110.641 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -82.67 162.33 21.86 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.723 -0.671 . . . . 15.0 110.656 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.452 ' O ' ' HD3' ' A' ' 65' ' ' ARG . 79.5 m -117.79 149.38 40.89 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.824 -0.806 . . . . 15.0 108.824 178.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -110.89 110.5 21.12 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.986 0.422 . . . . 15.0 111.488 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.2 mt -127.11 130.74 23.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.096 -0.502 . . . . 15.0 109.97 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.14 126.04 19.16 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 122.857 2.372 . . . . 15.0 113.001 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.06 161.61 14.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.095 -0.502 . . . . 15.0 110.017 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 59.7 m -66.13 158.43 28.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.613 -0.267 . . . . 15.0 110.582 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.11 86.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.448 -0.342 . . . . 15.0 111.24 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.595 -0.717 . . . . 15.0 110.642 179.659 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 111.744 -0.543 . . . . 15.0 111.744 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 22.4 m -85.44 -176.25 6.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.609 0.242 . . . . 15.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 3.3 p -67.26 102.46 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-O 121.743 0.783 . . . . 15.0 111.274 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -121.19 23.64 10.43 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.503 -0.772 . . . . 15.0 109.814 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -59.25 -55.8 30.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.375 -0.83 . . . . 15.0 110.446 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' B' ' 106' ' ' LEU . 2.1 mm? -100.76 64.7 1.1 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.801 -0.636 . . . . 15.0 109.355 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -37.91 89.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.461 -0.79 . . . . 15.0 111.714 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.69 -39.12 93.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.108 0.48 . . . . 15.0 110.765 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.62 -36.74 84.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.724 -0.671 . . . . 15.0 110.606 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.42 -42.02 59.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.752 -0.658 . . . . 15.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.56 -51.03 71.6 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.017 -0.538 . . . . 15.0 111.059 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 86.4 mt -55.09 -49.15 72.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 15.0 111.363 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -68.53 -34.59 76.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.148 -0.478 . . . . 15.0 111.816 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -64.61 -49.84 69.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.692 0.282 . . . . 15.0 110.273 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 21.1 tp -62.48 -44.47 96.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 15.0 110.502 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -60.44 -46.29 90.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.776 -0.647 . . . . 15.0 110.707 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -63.34 -43.58 97.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.438 -0.801 . . . . 15.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -56.48 -48.15 77.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.229 -0.441 . . . . 15.0 111.345 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.58 -36.48 82.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.028 -0.533 . . . . 15.0 111.346 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.65 -30.68 63.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.226 -0.443 . . . . 15.0 111.98 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -54.26 -20.34 6.88 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.801 0.667 . . . . 15.0 112.801 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -69.69 -42.19 74.42 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.173 -0.211 . . . . 15.0 111.28 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 123' ' ' ALA . . . . . 0.408 ' C ' ' H ' ' B' ' 125' ' ' LEU . . . -156.79 -43.54 0.07 Allowed 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.055 0.391 . . . . 15.0 112.055 -178.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -72.97 20.46 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.374 0.509 . . . . 15.0 112.374 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.408 ' H ' ' C ' ' B' ' 123' ' ' ALA . 30.5 tp -65.65 -31.96 73.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.851 0.358 . . . . 15.0 110.803 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -68.56 -44.34 74.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.238 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 55.2 ttp85 -71.4 -34.78 70.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.265 -0.425 . . . . 15.0 110.292 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.38 -40.32 82.03 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.45 0.643 . . . . 15.0 109.434 178.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.487 ' HB3' ' OD2' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -60.49 -48.6 81.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.192 -0.913 . . . . 15.0 110.456 179.236 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m -67.74 -34.04 76.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.791 -0.64 . . . . 15.0 111.224 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.63 -44.66 81.41 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.791 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 132' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' B' ' 136' ' ' ASP . 0.0 OUTLIER -57.54 -37.67 73.46 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 110.007 -0.368 . . . . 15.0 110.007 179.38 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 133' ' ' HIS . . . . . 0.404 ' O ' ' HE3' ' B' ' 137' ' ' LYS . 0.6 OUTLIER -55.42 -45.97 76.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.571 -0.74 . . . . 15.0 110.891 179.494 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -85.13 -27.07 26.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.043 -0.526 . . . . 15.0 111.977 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -77.14 -43.79 32.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.519 -0.309 . . . . 15.0 111.756 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 136' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' B' ' 132' ' ' ARG . 0.3 OUTLIER -63.8 -40.65 97.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.501 -0.318 . . . . 15.0 111.303 -178.783 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 137' ' ' LYS . . . . . 0.404 ' HE3' ' O ' ' B' ' 133' ' ' HIS . 8.7 ptpt -64.79 -24.26 67.5 Favored 'General case' 0 C--O 1.227 -0.124 0 CA-C-O 120.949 0.404 . . . . 15.0 110.233 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -83.56 -35.18 24.94 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.121 -0.696 . . . . 15.0 109.121 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -66.66 -28.94 68.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.097 -0.956 . . . . 15.0 110.989 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -52.11 -43.57 64.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.144 -0.48 . . . . 15.0 111.819 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.07 -43.76 33.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 15.0 111.204 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 52.2 ttp85 -62.91 -46.81 86.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.428 -0.351 . . . . 15.0 111.498 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -62.77 -31.19 72.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.584 -0.28 . . . . 15.0 111.681 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -56.74 -43.9 81.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.415 -0.357 . . . . 15.0 111.641 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -89.72 -34.21 16.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.779 0.323 . . . . 15.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.06 -52.09 66.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.01 -0.541 . . . . 15.0 111.581 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -69.92 -24.54 63.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.3 -0.409 . . . . 15.0 111.183 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -73.29 -40.31 64.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.149 -0.478 . . . . 15.0 110.624 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 20.8 tp -78.34 -56.18 4.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.355 -0.384 . . . . 15.0 110.771 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -74.58 116.35 15.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.13 -0.322 . . . . 15.0 110.13 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -96.82 -12.01 24.15 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.033 -0.267 . . . . 15.0 111.086 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.706 -0.664 . . . . 15.0 110.026 179.553 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.235 0.319 0 CA-C-O 120.577 0.227 . . . . 15.0 110.453 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -133.59 101.53 5.16 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.368 -0.378 . . . . 15.0 110.971 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -153.34 173.35 15.72 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.905 -0.405 . . . . 15.0 109.905 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.2 m -144.31 155.76 43.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.365 -0.379 . . . . 15.0 110.547 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 19.8 mmt -114.78 161.7 17.84 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.837 0.351 . . . . 15.0 111.083 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -88.14 97.8 11.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.881 -0.599 . . . . 15.0 111.376 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.32 -116.89 3.87 Favored Glycine 0 C--N 1.331 0.299 0 CA-C-N 115.58 -0.736 . . . . 15.0 113.871 178.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.527 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -66.4 -40.56 89.71 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.998 0.428 . . . . 15.0 111.011 -179.515 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.53 53.57 4.31 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.685 -0.769 . . . . 15.0 112.594 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -76.87 -18.59 58.24 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.312 -0.625 . . . . 15.0 109.312 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -101.02 22.23 12.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.123 -0.944 . . . . 15.0 109.994 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -70.75 118.82 14.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.81 -0.632 . . . . 15.0 111.088 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -117.89 10.62 13.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.939 -0.573 . . . . 15.0 109.789 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.53 149.83 42.61 Favored Glycine 0 C--O 1.237 0.309 0 CA-C-N 115.686 -0.688 . . . . 15.0 113.034 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -90.45 113.3 25.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.265 0.555 . . . . 15.0 111.556 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.415 HG12 ' H ' ' A' ' 22' ' ' LYS . 17.2 tt -163.9 131.63 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.407 -0.815 . . . . 15.0 109.311 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.4 p -122.87 31.29 6.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.909 0.385 . . . . 15.0 111.247 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.415 ' H ' HG12 ' A' ' 20' ' ' ILE . 46.7 mtmt -133.6 147.16 51.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.263 -0.426 . . . . 15.0 110.857 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.6 p -83.65 -177.94 6.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.994 -0.548 . . . . 15.0 110.502 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -73.84 -13.61 60.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.245 0.545 . . . . 15.0 109.899 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.71 3.88 47.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.588 -0.733 . . . . 15.0 110.637 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.8 23.92 71.09 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.662 -0.699 . . . . 15.0 112.775 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.8 mt -90.02 150.39 22.13 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.133 -0.321 . . . . 15.0 110.133 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -76.48 134.18 39.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.585 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.687 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 33.0 t -86.7 142.16 28.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.22 0.533 . . . . 15.0 111.243 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -86.76 146.43 26.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.505 -0.771 . . . . 15.0 109.657 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.705 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -68.87 139.31 55.16 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.004 -0.369 . . . . 15.0 110.004 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -65.19 -29.68 70.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.418 -0.356 . . . . 15.0 111.395 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -99.71 13.88 32.09 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.549 -0.296 . . . . 15.0 111.383 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.705 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -81.0 178.78 8.21 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.901 -0.407 . . . . 15.0 109.901 179.108 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -141.9 38.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.451 -0.5 . . . . 15.0 112.199 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.55 158.81 81.28 Favored Pre-proline 0 C--O 1.236 0.374 0 N-CA-C 105.485 -2.043 . . . . 15.0 105.485 175.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -72.96 96.39 0.86 Allowed 'Trans proline' 0 N--CA 1.455 -0.774 0 CA-C-N 122.026 1.759 . . . . 15.0 112.255 -177.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.28 162.44 24.71 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 113.676 -1.602 . . . . 15.0 110.185 177.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.69 112.16 25.02 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.182 -1.414 . . . . 15.0 107.182 174.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 -170.11 165.69 9.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.187 0.518 . . . . 15.0 111.91 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -137.29 21.6 3.27 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 110.867 -0.893 . . . . 15.0 110.867 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -88.53 78.31 7.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.467 -0.367 . . . . 15.0 110.957 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.9 mm -84.46 127.96 63.66 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.827 -0.435 . . . . 15.0 109.827 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.17 -33.03 52.51 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.963 2.442 . . . . 15.0 113.146 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.03 -20.09 64.96 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.416 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -83.36 -23.02 32.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 15.0 110.568 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -133.22 63.86 67.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 15.0 110.81 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.79 -14.97 26.93 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 121.861 1.707 . . . . 15.0 111.363 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -75.38 -21.91 57.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.313 -0.858 . . . . 15.0 111.233 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -96.65 6.17 49.24 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.947 -0.301 . . . . 15.0 111.535 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.6 t30 51.56 61.92 2.98 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.842 0.682 . . . . 15.0 112.842 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.6 mp -84.79 109.82 18.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.521 -0.918 . . . . 15.0 108.521 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -141.33 146.67 36.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.56 0.219 . . . . 15.0 110.947 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt 53.54 -134.74 1.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.951 0.782 . . . . 15.0 111.371 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -124.87 39.55 3.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.363 0.602 . . . . 15.0 110.333 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -91.68 141.73 28.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.014 -0.539 . . . . 15.0 110.382 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.5 t -59.52 131.02 49.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 15.0 111.085 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -138.75 168.22 20.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.896 -0.593 . . . . 15.0 109.794 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -138.69 88.35 14.14 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-O 120.895 0.379 . . . . 15.0 110.378 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -85.05 -5.52 9.58 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.497 2.131 . . . . 15.0 112.792 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' B' ' 129' ' ' LYS . 33.3 t70 -96.98 -24.13 15.96 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.157 -0.217 . . . . 15.0 111.397 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.4 mtm180 70.57 34.25 2.19 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.411 0.624 . . . . 15.0 109.93 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -80.91 -167.99 1.62 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.197 -0.91 . . . . 15.0 110.893 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.1 mt -47.68 -48.46 29.13 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.215 0.821 . . . . 15.0 113.215 -178.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -158.89 153.55 20.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 C-N-CA 120.687 -0.405 . . . . 15.0 111.29 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.527 ' HD3' ' O ' ' A' ' 12' ' ' SER . 51.9 Cg_exo -54.45 146.22 53.37 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.074 2.516 . . . . 15.0 113.563 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 -138.39 177.81 7.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.106 -0.952 . . . . 15.0 109.402 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.687 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 4.7 p -163.25 154.91 17.45 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.477 -0.329 . . . . 15.0 110.771 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -78.71 145.54 34.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.211 -0.45 . . . . 15.0 109.952 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 p -100.42 154.68 18.32 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.878 0.37 . . . . 15.0 111.621 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.49 8.15 29.46 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.196 0.522 . . . . 15.0 110.792 178.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -103.94 122.95 42.66 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.035 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -60.46 -16.64 43.16 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.987 2.458 . . . . 15.0 113.603 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.38 -17.89 59.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.564 0.221 . . . . 15.0 110.752 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -130.5 152.82 49.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.878 0.371 . . . . 15.0 110.899 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -99.02 -63.36 1.13 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.228 0.537 . . . . 15.0 110.042 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 32.4 p-90 -147.39 144.09 28.44 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.57 -0.741 . . . . 15.0 109.169 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -130.8 155.02 47.39 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.772 0.32 . . . . 15.0 110.363 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -82.95 161.88 21.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.828 -0.624 . . . . 15.0 110.946 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 5.9 t -117.32 139.46 50.81 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.955 -0.758 . . . . 15.0 108.955 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -100.91 110.94 23.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.245 -0.434 . . . . 15.0 111.125 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.98 135.32 26.62 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.883 -0.598 . . . . 15.0 110.017 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -58.88 123.4 13.43 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.648 2.232 . . . . 15.0 112.145 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -104.83 156.05 18.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.414 -0.357 . . . . 15.0 110.61 -179.59 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 66.7 m -67.62 151.07 47.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.216 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.54 -49.13 70.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.133 0.492 . . . . 15.0 109.803 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.693 -0.67 . . . . 15.0 109.724 179.196 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.849 0 N-CA-C 112.007 -0.437 . . . . 15.0 112.007 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 2.9 t -136.58 -167.58 2.09 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.698 -0.482 . . . . 15.0 109.698 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 3.8 p -82.72 91.35 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.928 0.871 . . . . 15.0 109.887 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.33 22.32 14.35 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.558 -0.746 . . . . 15.0 110.594 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -63.35 -40.15 96.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.794 -0.639 . . . . 15.0 111.261 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.411 ' HG ' ' HE3' ' B' ' 143' ' ' LYS . 2.2 mm? -102.54 49.64 0.84 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.078 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -46.07 85.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.698 -0.683 . . . . 15.0 112.378 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.64 -45.76 74.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 15.0 111.42 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.7 -48.41 80.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.935 -0.575 . . . . 15.0 111.029 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.38 98.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.932 -0.576 . . . . 15.0 111.18 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -61.23 -45.73 93.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.472 -0.331 . . . . 15.0 110.975 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 44.6 mt -60.13 -47.88 84.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.616 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -65.58 -38.7 90.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.941 -0.572 . . . . 15.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -65.32 -47.9 74.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.46 -0.336 . . . . 15.0 110.955 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 43.8 tp -57.91 -39.59 78.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 15.0 110.191 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -68.75 -43.99 74.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.811 -0.631 . . . . 15.0 110.178 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' ASN . . . . . 0.471 ' O ' ' HB2' ' B' ' 121' ' ' GLU . 1.8 t30 -62.18 -43.53 98.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.851 -0.613 . . . . 15.0 110.741 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.48 -42.96 98.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.985 0.421 . . . . 15.0 111.204 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.2 -44.12 76.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.386 -0.37 . . . . 15.0 111.18 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.37 -19.75 57.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.197 -0.456 . . . . 15.0 112.206 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' B' ' 117' ' ' ASN . 19.6 tt0 -57.43 -20.93 33.35 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.244 0.461 . . . . 15.0 112.244 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -58.42 -67.54 0.34 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.164 -0.471 . . . . 15.0 111.423 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -136.53 -26.86 1.08 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.99 0.424 . . . . 15.0 111.395 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -81.6 22.94 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.129 -0.487 . . . . 15.0 111.451 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 25.6 tp -64.51 -31.83 73.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.986 0.422 . . . . 15.0 110.425 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -66.12 -41.4 90.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.902 -0.59 . . . . 15.0 109.61 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 37.2 ttp85 -72.12 -41.23 67.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.645 -0.707 . . . . 15.0 110.231 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -57.61 -48.86 78.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.601 -0.727 . . . . 15.0 111.099 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.434 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -61.65 -32.28 72.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.963 -0.562 . . . . 15.0 111.051 -178.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 29.4 m -79.91 -41.04 26.92 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.853 0.359 . . . . 15.0 110.866 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -61.52 -49.31 77.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 15.0 110.477 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 5.0 tmt_? -57.48 -36.32 71.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.462 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -61.29 -41.37 96.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.949 -0.569 . . . . 15.0 111.195 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 134' ' ' ASP . . . . . 0.557 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 18.4 t70 -83.81 -23.28 31.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.831 0.348 . . . . 15.0 111.558 -179.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -82.94 -36.61 25.07 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 111.974 0.361 . . . . 15.0 111.974 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.76 -29.59 70.11 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.75 0.278 . . . . 15.0 111.75 -178.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 137' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 12.7 ptpt -69.37 -25.15 64.03 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.359 -0.608 . . . . 15.0 109.359 178.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -83.96 -28.04 28.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.285 -0.87 . . . . 15.0 108.725 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -61.97 -33.81 74.99 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.4 -0.818 . . . . 15.0 110.299 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.04 -26.43 68.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 15.0 110.439 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -83.05 -41.39 18.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.876 -0.602 . . . . 15.0 110.215 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' B' ' 146' ' ' GLU . 40.7 ttp85 -75.31 -55.07 6.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.765 -0.652 . . . . 15.0 111.582 -179.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . 0.411 ' HE3' ' HG ' ' B' ' 106' ' ' LEU . 43.4 mmtm -61.0 -21.39 63.52 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.129 0.418 . . . . 15.0 112.129 -178.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -57.47 -51.95 67.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.932 0.396 . . . . 15.0 110.418 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -90.02 -32.57 16.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.127 -0.488 . . . . 15.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 146' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' B' ' 142' ' ' ARG . 7.5 tt0 -61.03 -55.13 36.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.002 -0.544 . . . . 15.0 111.903 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.73 -27.47 67.64 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.813 0.34 . . . . 15.0 111.188 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -73.89 -41.1 62.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.922 -0.581 . . . . 15.0 110.576 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 15.9 tp -75.4 -45.69 37.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.136 -0.483 . . . . 15.0 110.728 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -76.32 107.66 8.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.973 -0.558 . . . . 15.0 111.096 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -76.1 -36.27 58.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.895 0.378 . . . . 15.0 110.171 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.892 -0.575 . . . . 15.0 109.812 179.639 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.842 0.354 . . . . 15.0 111.143 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -127.91 106.52 9.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.204 -0.453 . . . . 15.0 109.998 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -150.7 161.09 43.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.825 0.345 . . . . 15.0 111.053 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.3 m -147.24 138.24 23.74 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.391 -0.596 . . . . 15.0 109.391 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 17.1 mmt -113.8 165.27 12.73 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 122.331 -0.23 . . . . 15.0 110.838 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -85.74 97.45 10.16 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.498 0.555 . . . . 15.0 112.498 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.05 -113.4 1.63 Allowed Glycine 0 C--O 1.23 -0.137 0 CA-C-N 115.036 -0.984 . . . . 15.0 114.985 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.608 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 23.7 m -76.44 -9.44 58.65 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.784 0.661 . . . . 15.0 112.784 -177.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.23 56.43 14.81 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 121.053 -0.594 . . . . 15.0 112.326 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -65.13 -24.72 67.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.192 0.52 . . . . 15.0 110.357 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.39 27.37 9.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.535 -0.757 . . . . 15.0 110.085 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -75.65 113.46 13.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.55 -0.75 . . . . 15.0 110.401 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -112.47 32.53 5.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.13 -0.487 . . . . 15.0 110.65 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.12 146.51 41.31 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.765 -0.731 . . . . 15.0 111.634 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -85.49 105.72 16.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.218 0.532 . . . . 15.0 111.002 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.0 tt -156.2 130.8 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.462 -0.79 . . . . 15.0 109.321 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.6 37.25 4.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.914 0.388 . . . . 15.0 111.46 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -140.54 153.93 46.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.264 -0.426 . . . . 15.0 111.215 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.7 p -95.83 -177.43 4.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.966 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -68.48 -22.72 64.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.883 0.373 . . . . 15.0 110.792 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.02 3.55 51.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.225 -0.443 . . . . 15.0 110.985 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.63 25.42 72.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.871 -0.68 . . . . 15.0 112.754 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.61 158.02 16.19 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.313 -0.254 . . . . 15.0 110.313 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -81.33 131.64 35.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.065 0.46 . . . . 15.0 111.622 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.519 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 13.7 t -82.5 142.24 32.02 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.527 -0.761 . . . . 15.0 110.874 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.404 ' HG2' ' N ' ' A' ' 31' ' ' ALA . 5.0 tt0 -94.11 148.8 21.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.869 -0.605 . . . . 15.0 109.998 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.572 ' HB3' ' OG ' ' A' ' 34' ' ' SER . . . -67.34 144.22 55.96 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 110.33 -0.248 . . . . 15.0 110.33 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 60.7 m95 -67.54 -26.41 66.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.21 -0.45 . . . . 15.0 111.409 -178.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -103.21 11.83 36.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.673 -0.239 . . . . 15.0 111.444 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.572 ' OG ' ' HB3' ' A' ' 31' ' ' ALA . 3.0 m -67.59 153.9 42.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 15.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -104.53 19.67 19.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.41 -0.359 . . . . 15.0 111.45 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.36 143.95 97.67 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 106.507 -1.664 . . . . 15.0 106.507 176.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.81 100.7 1.22 Allowed 'Trans proline' 0 N--CA 1.457 -0.638 0 CA-C-N 120.101 1.072 . . . . 15.0 112.812 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.422 ' NE2' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -121.25 162.63 19.9 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 113.928 -1.487 . . . . 15.0 109.209 176.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.69 110.47 22.81 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 107.312 -1.366 . . . . 15.0 107.312 175.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -172.08 174.38 4.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.193 0.521 . . . . 15.0 111.414 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.4 ' HA3' ' OD1' ' B' ' 117' ' ' ASN . . . -138.01 21.29 3.17 Favored Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.41 -0.814 . . . . 15.0 111.114 178.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -86.61 111.47 20.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.519 -0.341 . . . . 15.0 110.816 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.442 HG22 ' H ' ' A' ' 45' ' ' SER . 44.1 mm -119.38 130.26 24.94 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.375 -0.602 . . . . 15.0 109.375 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -51.9 -35.07 58.6 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.847 2.364 . . . . 15.0 113.048 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.442 ' H ' HG22 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -67.11 -18.88 65.51 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.871 0.367 . . . . 15.0 111.74 -179.763 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -86.91 -26.08 24.09 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.001 0.429 . . . . 15.0 111.084 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -124.54 68.7 51.92 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.153 -0.476 . . . . 15.0 110.987 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.86 -32.72 8.73 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.22 1.946 . . . . 15.0 112.329 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -75.09 -10.46 59.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.264 -0.425 . . . . 15.0 111.389 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -92.7 -4.13 53.7 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.71 -0.478 . . . . 15.0 109.71 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 39.6 t30 55.16 56.74 6.17 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 114.992 -1.004 . . . . 15.0 111.232 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mp -84.17 109.85 18.06 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.489 -0.56 . . . . 15.0 109.489 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -144.0 150.63 38.56 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.333 -0.394 . . . . 15.0 110.646 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt 53.59 -129.12 2.32 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.798 -0.637 . . . . 15.0 111.203 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -130.12 26.3 5.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.926 0.393 . . . . 15.0 110.56 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -75.47 136.78 40.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.231 -0.441 . . . . 15.0 110.767 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 50.8 t -71.47 146.31 48.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.198 -0.456 . . . . 15.0 110.269 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.23 179.43 7.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 15.0 109.674 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -119.69 86.82 36.01 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.563 -0.289 . . . . 15.0 110.799 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -92.84 2.32 3.64 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.856 2.371 . . . . 15.0 112.032 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -105.46 -8.44 18.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.689 -0.687 . . . . 15.0 111.547 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 60.64 31.44 20.18 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.157 0.504 . . . . 15.0 109.849 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.32 -171.85 3.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.566 -0.743 . . . . 15.0 111.079 -178.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.432 ' H ' HD12 ' A' ' 64' ' ' LEU . 5.3 mp -51.37 -42.27 61.22 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.518 -0.764 . . . . 15.0 112.868 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -163.59 154.43 13.88 Favored Pre-proline 0 C--O 1.224 -0.255 0 C-N-CA 120.983 -0.287 . . . . 15.0 111.106 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.608 ' HD3' ' O ' ' A' ' 12' ' ' SER . 52.4 Cg_exo -52.22 135.34 52.88 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.995 2.463 . . . . 15.0 113.738 -178.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 -130.78 179.22 6.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.2 -0.909 . . . . 15.0 109.426 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.519 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -164.62 158.25 17.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.719 0.295 . . . . 15.0 110.688 179.755 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -79.21 141.75 36.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 15.0 109.944 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.49 142.15 39.31 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.473 -0.331 . . . . 15.0 111.284 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.78 52.84 2.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.978 0.418 . . . . 15.0 112.056 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -132.48 128.82 21.22 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.463 -0.335 . . . . 15.0 110.263 179.677 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 29.8 Cg_exo -60.08 -21.22 64.61 Favored 'Trans proline' 0 N--CA 1.476 0.472 0 C-N-CA 122.57 2.18 . . . . 15.0 113.388 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -98.04 -0.45 44.57 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.551 -0.295 . . . . 15.0 111.682 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -149.78 104.74 3.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.615 0.245 . . . . 15.0 110.627 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.422 ' HA ' ' NE2' ' A' ' 38' ' ' HIS . 20.7 mtm180 -67.93 -45.21 74.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.217 -0.447 . . . . 15.0 111.231 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 58.5 p-90 -153.42 166.1 33.73 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.876 -0.33 . . . . 15.0 111.018 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -152.21 170.13 20.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.343 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -89.5 162.36 15.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.549 -0.75 . . . . 15.0 110.369 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 11.0 t -117.21 137.35 52.42 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.392 -0.595 . . . . 15.0 109.392 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -90.47 109.76 20.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 15.0 110.68 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.1 mt -124.85 132.61 24.34 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.935 -0.575 . . . . 15.0 110.421 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.35 133.07 44.21 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.702 2.268 . . . . 15.0 112.435 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -101.5 167.72 9.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.107 -0.497 . . . . 15.0 110.788 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.0 m -90.89 164.76 13.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.133 -0.485 . . . . 15.0 110.117 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.08 -36.43 64.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.307 0.575 . . . . 15.0 109.808 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.313 -0.851 . . . . 15.0 110.09 179.483 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.816 0 N-CA-C 111.976 -0.449 . . . . 15.0 111.976 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 4.9 t -155.79 -162.18 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.162 -0.681 . . . . 15.0 109.162 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.417 HG13 ' O ' ' B' ' 103' ' ' VAL . 6.7 p -69.06 99.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.739 0.78 . . . . 15.0 109.793 179.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -105.27 -0.6 26.17 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.598 -0.728 . . . . 15.0 111.112 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -68.18 -53.7 23.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.227 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -91.44 57.18 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.724 -0.472 . . . . 15.0 109.724 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.86 -61.18 2.72 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.86 0.689 . . . . 15.0 112.86 -178.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.14 93.55 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.899 0.333 . . . . 15.0 111.899 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.03 -49.83 74.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 15.0 111.291 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.72 -41.6 92.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.42 . . . . 15.0 111.224 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -57.74 -49.14 77.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.012 -0.54 . . . . 15.0 110.924 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.32 -47.21 86.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.287 -0.415 . . . . 15.0 111.143 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -59.95 -44.85 94.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 15.0 111.567 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -69.92 -46.95 64.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.685 -0.234 . . . . 15.0 111.56 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 30.9 tp -57.37 -39.57 76.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.16 0.505 . . . . 15.0 110.377 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -72.28 -42.19 65.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.423 -0.808 . . . . 15.0 110.653 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' ASN . . . . . 0.4 ' OD1' ' HA3' ' A' ' 41' ' ' GLY . 7.4 t30 -61.34 -46.97 88.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.76 -0.655 . . . . 15.0 111.465 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -34.05 73.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.424 . . . . 15.0 111.429 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -79.31 -42.24 26.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.382 -0.372 . . . . 15.0 111.117 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.72 -19.27 62.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 15.0 111.83 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -57.95 -17.94 20.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.45 -0.341 . . . . 15.0 111.809 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -60.89 -75.38 0.07 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.773 0.321 . . . . 15.0 111.131 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -134.92 -3.69 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 15.0 111.409 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -95.6 12.75 28.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.618 -0.265 . . . . 15.0 110.722 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.15 -35.75 75.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.103 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -69.52 -26.67 64.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.909 0.385 . . . . 15.0 110.584 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 60.1 ttp85 -86.27 -31.35 21.7 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.305 -0.628 . . . . 15.0 109.305 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -55.82 -50.39 70.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.184 -0.916 . . . . 15.0 110.253 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -61.78 -46.6 88.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.095 -0.502 . . . . 15.0 111.392 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 3.9 m -62.07 -41.61 98.34 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.812 0.339 . . . . 15.0 111.313 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -65.92 -41.79 90.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 15.0 110.854 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -42.62 79.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.934 -0.575 . . . . 15.0 111.637 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -58.58 -53.73 54.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 15.0 111.643 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.69 -36.97 83.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 15.0 110.814 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -62.64 -49.59 74.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.465 . . . . 15.0 111.338 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -32.04 73.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.046 0.45 . . . . 15.0 110.535 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 137' ' ' LYS . . . . . 0.427 ' HB3' ' HE2' ' B' ' 137' ' ' LYS . 34.3 ttpt -63.55 -42.48 98.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.873 -0.603 . . . . 15.0 110.112 179.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -75.91 -27.91 57.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.011 -0.541 . . . . 15.0 110.088 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.33 -22.38 66.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.754 -0.657 . . . . 15.0 111.522 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.37 -45.94 83.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.755 0.312 . . . . 15.0 110.693 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -69.6 -37.85 77.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.86 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.444 ' O ' ' HB2' ' B' ' 146' ' ' GLU . 10.6 ttp180 -68.24 -57.03 6.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.261 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -62.49 -22.88 66.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.55 . . . . 15.0 112.213 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' B' ' 148' ' ' LYS . . . -58.27 -49.07 78.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.36 . . . . 15.0 110.497 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -92.09 -35.5 13.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 15.0 111.661 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 146' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' B' ' 142' ' ' ARG . 9.8 tt0 -58.34 -57.08 14.47 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.872 0.693 . . . . 15.0 112.872 -177.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -77.01 -10.1 59.14 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.194 0.521 . . . . 15.0 111.163 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' B' ' 144' ' ' ALA . 65.1 tttt -82.21 -45.53 14.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.801 -0.636 . . . . 15.0 110.253 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 45.2 tp -83.14 -53.35 5.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.592 -0.731 . . . . 15.0 110.53 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -95.96 90.6 5.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.061 0.457 . . . . 15.0 110.512 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -87.67 -17.29 32.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.211 -0.45 . . . . 15.0 111.269 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.744 -0.646 . . . . 15.0 110.316 179.854 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.54 0.21 . . . . 15.0 110.572 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -136.77 120.85 17.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.951 0.405 . . . . 15.0 110.734 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -161.72 162.27 29.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.715 -0.675 . . . . 15.0 109.811 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.6 m -136.15 132.19 35.68 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.99 0.424 . . . . 15.0 110.294 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.2 mmt -114.67 167.47 10.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.108 -0.496 . . . . 15.0 110.466 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.3 t60 -66.36 151.63 46.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.317 -0.401 . . . . 15.0 110.187 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.49 -60.59 7.63 Favored Glycine 0 CA--C 1.522 0.487 0 O-C-N 123.44 0.463 . . . . 15.0 113.114 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.6 t -68.05 -41.62 81.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.893 0.378 . . . . 15.0 110.76 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 61.44 44.25 98.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.992 -0.623 . . . . 15.0 112.246 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -70.56 -38.56 74.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.96 0.409 . . . . 15.0 111.226 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -95.17 26.59 3.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.177 -0.465 . . . . 15.0 110.977 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -65.12 112.11 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.647 -0.501 . . . . 15.0 109.647 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.445 ' HA ' ' NH2' ' A' ' 58' ' ' ARG . 8.1 t70 -116.79 11.7 14.6 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.171 -0.468 . . . . 15.0 110.923 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.93 147.67 50.29 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.641 -0.709 . . . . 15.0 112.008 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -76.99 115.5 16.84 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.947 0.403 . . . . 15.0 110.666 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 tt -165.46 131.14 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.536 -0.756 . . . . 15.0 109.838 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 p -130.74 39.8 3.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.21 0.529 . . . . 15.0 110.568 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -142.52 154.35 44.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.659 -0.7 . . . . 15.0 110.48 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.7 p -93.16 177.36 6.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.981 -0.554 . . . . 15.0 110.197 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -68.45 -19.23 64.56 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.182 0.515 . . . . 15.0 110.327 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -12.16 54.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.637 -0.711 . . . . 15.0 110.827 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.2 25.58 33.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.657 -0.782 . . . . 15.0 111.819 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.4 mt -97.16 154.5 17.33 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.263 -0.273 . . . . 15.0 110.263 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -74.8 137.78 42.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.052 -0.522 . . . . 15.0 110.939 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.589 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 28.7 t -90.57 141.43 28.77 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.635 -0.712 . . . . 15.0 111.029 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -87.13 144.57 26.8 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.586 -0.734 . . . . 15.0 110.166 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -70.09 140.8 52.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.496 -0.32 . . . . 15.0 110.786 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -67.99 -19.82 64.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.812 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -103.16 3.59 35.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 15.0 111.32 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.489 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 34.4 t -79.95 147.56 31.56 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.089 -0.337 . . . . 15.0 110.089 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -109.21 36.56 2.87 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 120.72 -0.392 . . . . 15.0 111.873 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.66 142.72 96.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 105.413 -2.069 . . . . 15.0 105.413 175.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -70.9 97.92 0.76 Allowed 'Trans proline' 0 N--CA 1.454 -0.831 0 CA-C-N 121.085 1.423 . . . . 15.0 112.649 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.634 ' NE2' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -123.13 164.63 18.28 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 113.488 -1.687 . . . . 15.0 108.88 176.161 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.27 112.34 24.07 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 106.955 -1.498 . . . . 15.0 106.955 175.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.499 ' HA ' ' NH1' ' B' ' 132' ' ' ARG . 46.5 p-80 -170.92 -177.86 2.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.19 0.519 . . . . 15.0 111.828 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.62 35.76 0.43 Allowed Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.27 -0.877 . . . . 15.0 110.933 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -104.83 108.1 19.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 15.0 110.683 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 8.9 mm -110.88 129.47 23.94 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.968 -0.56 . . . . 15.0 109.577 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -53.62 -27.46 41.74 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.157 2.571 . . . . 15.0 113.608 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.57 -22.22 61.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.045 0.45 . . . . 15.0 111.089 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -95.9 -6.22 39.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.016 -0.538 . . . . 15.0 110.738 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -136.69 56.67 13.82 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.131 -0.486 . . . . 15.0 111.701 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -82.39 -6.41 11.86 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.07 1.846 . . . . 15.0 111.349 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -80.85 -25.47 37.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.909 -1.041 . . . . 15.0 110.707 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -102.19 8.89 40.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.008 0.432 . . . . 15.0 110.444 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 51.4 t30 54.51 56.81 6.39 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.095 -0.957 . . . . 15.0 112.028 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.0 mp -79.52 110.53 14.92 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.504 -0.554 . . . . 15.0 109.504 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -143.8 144.09 31.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.575 0.226 . . . . 15.0 110.722 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt 52.47 -133.77 1.76 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.523 -0.762 . . . . 15.0 111.928 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -120.4 31.5 6.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.989 0.424 . . . . 15.0 110.95 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -81.05 144.65 31.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.268 -0.424 . . . . 15.0 110.333 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.9 t -62.71 132.68 53.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.279 -0.419 . . . . 15.0 109.996 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.445 ' NH2' ' HA ' ' A' ' 17' ' ' ASP . 2.4 mmp_? -133.93 169.85 16.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.776 0.322 . . . . 15.0 110.57 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -134.28 82.98 45.67 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-O 121.343 0.592 . . . . 15.0 109.624 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -85.27 1.97 8.07 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.465 2.11 . . . . 15.0 113.872 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.441 ' HB2' ' HD3' ' B' ' 129' ' ' LYS . 38.1 t70 -109.24 -15.6 14.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.813 0.339 . . . . 15.0 110.825 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.1 mtm105 66.06 29.93 9.78 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.152 -1.055 . . . . 15.0 108.152 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -76.3 -171.62 1.82 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 114.584 -1.189 . . . . 15.0 111.126 -179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.0 mt -51.03 -43.3 60.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.213 -0.903 . . . . 15.0 112.983 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -160.15 148.69 13.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 C-N-CA 120.61 -0.436 . . . . 15.0 111.913 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.52 145.87 21.08 Favored 'Trans proline' 0 C--O 1.238 0.52 0 C-N-CA 123.236 2.624 . . . . 15.0 114.101 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 29.7 p-90 -136.8 173.31 11.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.145 -0.934 . . . . 15.0 109.775 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.589 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 4.9 p -164.88 156.87 15.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.577 -0.283 . . . . 15.0 111.019 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -79.52 147.76 32.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 15.0 109.922 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.31 167.04 10.07 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.888 0.375 . . . . 15.0 111.274 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 p -99.3 18.71 16.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.018 0.437 . . . . 15.0 110.848 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.44 119.64 48.9 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 15.0 109.872 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.5 -21.06 22.71 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.267 2.645 . . . . 15.0 114.686 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -87.29 -11.86 48.31 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.696 0.284 . . . . 15.0 111.604 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.78 109.18 6.91 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.04 -0.355 . . . . 15.0 110.04 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.634 ' HA ' ' NE2' ' A' ' 38' ' ' HIS . 8.8 mtm180 -65.89 -54.03 31.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.616 0.246 . . . . 15.0 110.875 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.408 ' CZ2' ' HA ' ' B' ' 133' ' ' HIS . 66.4 p-90 -146.98 159.75 43.19 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.895 -0.409 . . . . 15.0 109.895 179.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -141.22 173.21 11.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.223 0.535 . . . . 15.0 111.345 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -94.49 158.96 15.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.357 -0.838 . . . . 15.0 110.837 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 5.0 t -120.36 138.64 53.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.211 -0.663 . . . . 15.0 109.211 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -95.23 115.97 28.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.807 0.337 . . . . 15.0 110.59 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.9 mt -125.15 132.82 24.4 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.097 -0.501 . . . . 15.0 110.125 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -64.78 122.68 10.59 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.27 1.98 . . . . 15.0 111.177 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -103.28 163.15 12.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.167 -0.47 . . . . 15.0 111.095 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 18.6 m -74.0 149.52 41.24 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.933 -0.576 . . . . 15.0 110.271 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.59 -25.61 50.06 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.905 0.383 . . . . 15.0 110.738 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.215 0 CA-C-O 118.748 -0.644 . . . . 15.0 110.323 179.661 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 112.473 -0.251 . . . . 15.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 14.4 p -157.97 -151.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.723 0.262 . . . . 15.0 110.414 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 p -76.4 74.11 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-O 122.221 1.01 . . . . 15.0 110.523 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -86.93 8.34 23.55 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.361 -0.836 . . . . 15.0 112.197 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -71.48 -27.07 62.98 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.159 0.504 . . . . 15.0 109.838 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -102.2 41.02 1.26 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.75 -0.659 . . . . 15.0 109.55 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -56.9 15.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.633 -0.712 . . . . 15.0 112.627 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.58 -42.35 95.69 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.829 0.307 . . . . 15.0 111.829 -178.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -62.23 -45.48 93.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.052 -0.522 . . . . 15.0 110.787 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.67 -38.04 73.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 15.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -61.84 -48.88 78.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 15.0 110.674 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 65.8 mt -59.49 -41.38 89.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.873 0.368 . . . . 15.0 110.539 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -66.42 -42.54 87.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 15.0 110.359 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -67.86 -44.4 77.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.531 . . . . 15.0 111.101 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 17.3 tp -60.94 -39.18 88.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.113 0.482 . . . . 15.0 110.346 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -68.91 -44.98 72.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.557 -0.747 . . . . 15.0 110.029 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -64.5 -37.52 87.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.897 -0.592 . . . . 15.0 110.747 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -61.88 -44.52 96.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.831 -0.622 . . . . 15.0 111.374 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.18 -35.74 55.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.918 0.39 . . . . 15.0 111.013 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.01 -27.46 65.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.107 -0.497 . . . . 15.0 111.417 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -48.67 -28.4 3.51 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 122.959 0.504 . . . . 15.0 111.623 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -54.35 -67.72 0.24 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.949 -0.569 . . . . 15.0 110.864 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -154.53 4.01 0.24 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.435 0.531 . . . . 15.0 112.435 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.04 3.0 32.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.999 0.428 . . . . 15.0 110.318 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 18.0 tp -58.78 -29.8 67.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.535 -0.757 . . . . 15.0 110.925 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -61.34 -54.68 40.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.808 -0.633 . . . . 15.0 110.526 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -73.75 -33.41 64.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.075 -0.512 . . . . 15.0 110.84 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -58.04 -43.82 87.05 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.347 0.594 . . . . 15.0 109.787 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.441 ' HD3' ' HB2' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -63.83 -38.1 89.83 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.258 -0.883 . . . . 15.0 110.539 179.65 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 1.5 m -71.12 -31.33 67.62 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.319 0.58 . . . . 15.0 110.157 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -65.25 -34.82 79.26 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.709 -0.678 . . . . 15.0 109.836 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . 0.499 ' NH1' ' HA ' ' A' ' 40' ' ' HIS . 19.4 mtp180 -59.56 -38.7 81.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.716 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 133' ' ' HIS . . . . . 0.408 ' HA ' ' CZ2' ' A' ' 77' ' ' TRP . 2.0 m80 -54.86 -42.87 72.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 15.0 111.32 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 134' ' ' ASP . . . . . 0.448 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 25.2 t70 -85.07 -30.72 23.86 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.079 0.4 . . . . 15.0 112.079 -179.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -74.47 -45.7 44.48 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.182 0.438 . . . . 15.0 112.182 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.34 -38.34 90.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.712 0.292 . . . . 15.0 111.329 -178.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 137' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 0.2 OUTLIER -64.08 -32.66 74.3 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.727 -0.471 . . . . 15.0 109.727 179.332 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -76.91 -36.31 56.73 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.896 -0.779 . . . . 15.0 108.896 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.03 -37.15 81.57 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.413 -0.812 . . . . 15.0 110.067 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.76 -38.21 72.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.343 -0.39 . . . . 15.0 110.757 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.74 -38.28 21.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.224 -0.443 . . . . 15.0 111.114 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 38.5 ttp85 -71.66 -44.34 64.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.539 -0.3 . . . . 15.0 111.657 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -61.13 -29.84 70.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.652 -0.249 . . . . 15.0 111.283 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . 0.539 ' O ' ' HB2' ' B' ' 148' ' ' LYS . . . -60.72 -41.96 96.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 15.0 110.641 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.76 -37.1 16.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.917 -0.583 . . . . 15.0 110.834 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -60.47 -55.41 33.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.823 -0.626 . . . . 15.0 111.507 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -70.73 -17.49 62.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.045 0.45 . . . . 15.0 110.898 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . 0.539 ' HB2' ' O ' ' B' ' 144' ' ' ALA . 66.6 tttt -72.63 -26.59 61.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.898 -0.592 . . . . 15.0 109.994 179.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 14.3 tp -105.51 -38.4 6.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.827 -0.624 . . . . 15.0 110.464 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -78.49 83.45 4.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.037 -0.529 . . . . 15.0 110.595 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -65.41 0.69 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.387 -0.824 . . . . 15.0 111.398 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.402 -0.808 . . . . 15.0 110.036 -179.636 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 120.573 0.225 . . . . 15.0 110.447 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -150.54 99.03 2.71 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.124 -0.324 . . . . 15.0 110.124 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -166.38 162.67 17.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.445 -0.343 . . . . 15.0 110.46 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.9 m -144.07 150.97 39.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.299 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.5 mmt -114.91 154.6 28.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.569 -0.287 . . . . 15.0 110.449 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.59 95.46 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.998 -0.546 . . . . 15.0 112.146 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 39.43 -101.9 0.02 OUTLIER Glycine 0 CA--C 1.522 0.53 0 O-C-N 124.17 0.919 . . . . 15.0 115.148 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.603 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 47.8 t -65.1 -39.2 92.83 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 122.983 0.513 . . . . 15.0 111.602 -179.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.11 48.39 75.8 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.746 -0.74 . . . . 15.0 111.674 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.9 -38.13 87.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.86 0.362 . . . . 15.0 111.109 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -96.76 27.92 3.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.17 -0.468 . . . . 15.0 111.204 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -66.8 110.58 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 15.0 110.839 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -109.14 26.75 10.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.326 0.584 . . . . 15.0 110.306 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.59 159.65 53.11 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.608 -0.724 . . . . 15.0 112.453 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -92.49 105.68 17.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.878 0.371 . . . . 15.0 111.034 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.5 tt -162.66 137.67 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.914 -0.584 . . . . 15.0 109.511 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.37 25.27 3.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.15 0.5 . . . . 15.0 110.979 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -130.6 136.23 48.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.995 -0.548 . . . . 15.0 110.254 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.7 p -80.22 177.23 9.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.752 0.31 . . . . 15.0 110.753 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -70.02 -15.9 63.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.223 0.535 . . . . 15.0 110.328 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.62 -2.73 58.81 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.85 -0.614 . . . . 15.0 110.855 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.46 25.12 63.95 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.892 -0.67 . . . . 15.0 112.419 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.1 mt -98.08 163.18 12.86 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.919 -0.401 . . . . 15.0 109.919 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -91.15 144.03 26.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.011 0.434 . . . . 15.0 110.578 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.622 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 3.5 t -96.34 141.88 29.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.808 -0.633 . . . . 15.0 111.897 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -88.06 139.13 30.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.547 -0.752 . . . . 15.0 109.848 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.546 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -62.6 141.58 58.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.499 -0.319 . . . . 15.0 110.961 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -63.83 -23.01 67.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.063 -0.517 . . . . 15.0 111.591 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -98.68 -9.86 24.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.454 -0.339 . . . . 15.0 111.426 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.546 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 13.0 t -77.21 146.12 37.18 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 108.341 -0.985 . . . . 15.0 108.341 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -118.93 60.37 0.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.76 1.022 . . . . 15.0 113.76 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.18 161.15 79.94 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 105.016 -2.216 . . . . 15.0 105.016 174.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -72.28 97.49 0.86 Allowed 'Trans proline' 0 N--CA 1.455 -0.768 0 CA-C-N 122.084 1.78 . . . . 15.0 111.918 -178.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.535 ' NE2' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -124.63 162.65 23.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.025 -1.443 . . . . 15.0 110.141 176.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.75 113.34 26.78 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 106.961 -1.496 . . . . 15.0 106.961 174.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -171.62 -176.35 1.77 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.292 0.568 . . . . 15.0 112.314 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.7 28.37 0.48 Allowed Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.026 -0.988 . . . . 15.0 110.792 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -94.59 73.29 3.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.958 0.409 . . . . 15.0 110.941 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.49 HG22 ' H ' ' A' ' 45' ' ' SER . 33.0 mm -79.97 131.37 63.54 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.092 -0.504 . . . . 15.0 110.093 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -52.75 -31.23 50.05 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.991 2.461 . . . . 15.0 112.595 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.49 ' H ' HG22 ' A' ' 43' ' ' ILE . 1.1 m -70.69 -11.6 61.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.017 -0.538 . . . . 15.0 111.431 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -99.05 -15.4 19.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.514 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -136.4 60.07 30.04 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.29 -0.414 . . . . 15.0 111.206 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.74 -24.03 18.66 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 121.897 1.732 . . . . 15.0 111.972 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -77.53 -12.27 59.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.825 -0.625 . . . . 15.0 111.413 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -98.05 3.98 49.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.016 0.436 . . . . 15.0 109.991 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 55.4 t30 52.39 61.52 3.16 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.092 -0.958 . . . . 15.0 111.94 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.1 mp -84.42 109.46 17.89 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.52 -0.548 . . . . 15.0 109.52 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -146.52 148.99 32.76 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 116.187 -0.46 . . . . 15.0 110.355 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt 51.83 -142.1 0.76 Allowed 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.593 0.558 . . . . 15.0 111.261 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.415 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 32.8 p-10 -118.87 28.99 7.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.112 0.482 . . . . 15.0 110.249 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -77.87 140.53 39.34 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.874 -0.603 . . . . 15.0 110.364 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 9.3 t -60.46 129.89 43.87 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.826 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 58' ' ' ARG . 5.8 mmp_? -134.67 166.44 22.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.999 -0.546 . . . . 15.0 109.869 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -126.94 75.54 76.19 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.653 -0.499 . . . . 15.0 109.653 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -87.91 -4.94 7.02 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.696 2.264 . . . . 15.0 111.728 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.45 ' OD2' ' HB2' ' B' ' 129' ' ' LYS . 0.4 OUTLIER -91.67 -23.17 19.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.538 -0.755 . . . . 15.0 110.213 -179.622 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 mtm105 65.55 35.98 6.85 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.643 -0.708 . . . . 15.0 109.932 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -89.51 -169.47 2.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.87 -1.059 . . . . 15.0 110.155 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.5 mt -49.65 -46.73 49.99 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.906 0.706 . . . . 15.0 112.906 -178.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -156.17 155.85 29.6 Favored Pre-proline 0 C--N 1.331 -0.239 0 C-N-CA 120.715 -0.394 . . . . 15.0 111.756 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.603 ' HD3' ' O ' ' A' ' 12' ' ' SER . 32.0 Cg_exo -56.6 144.13 86.42 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.956 2.437 . . . . 15.0 113.717 -179.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 43.8 p-90 -139.34 -176.44 4.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.022 -0.99 . . . . 15.0 109.425 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.622 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 2.5 p -165.67 154.22 11.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.626 0.25 . . . . 15.0 110.701 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -75.52 133.51 40.99 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.488 -0.56 . . . . 15.0 109.488 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.31 155.62 16.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.233 -0.44 . . . . 15.0 111.454 -178.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.64 11.3 3.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 15.0 112.086 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.5 OUTLIER -94.62 127.37 44.02 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 110.399 -0.223 . . . . 15.0 110.399 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 18.4 Cg_exo -66.12 -19.5 57.08 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.395 2.063 . . . . 15.0 112.866 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -88.2 -18.29 29.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.538 -0.301 . . . . 15.0 111.411 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.8 tptp -133.23 109.57 9.51 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.855 -0.424 . . . . 15.0 109.855 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.535 ' HA ' ' NE2' ' A' ' 38' ' ' HIS . 9.1 mtm180 -64.34 -56.0 17.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.278 -0.419 . . . . 15.0 111.388 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.9 p-90 -146.71 153.73 40.6 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.794 -0.363 . . . . 15.0 110.673 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -139.06 165.05 28.15 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.079 -0.509 . . . . 15.0 110.63 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -83.4 160.97 21.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.548 -0.751 . . . . 15.0 111.718 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.6 t -118.06 134.32 55.09 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.035 -0.728 . . . . 15.0 109.035 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -89.3 96.7 10.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.012 0.434 . . . . 15.0 110.867 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.5 mt -111.85 125.64 29.94 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.535 -0.757 . . . . 15.0 109.983 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.91 122.98 12.52 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 122.886 2.391 . . . . 15.0 112.841 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -98.58 159.68 14.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.744 -0.662 . . . . 15.0 110.237 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 17.7 m -72.68 149.04 44.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.348 -0.387 . . . . 15.0 110.666 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.07 -20.39 48.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.014 0.435 . . . . 15.0 110.985 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.294 -0.86 . . . . 15.0 110.442 179.828 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.806 0 N-CA-C 112.052 -0.419 . . . . 15.0 112.052 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.64 153.59 21.04 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.389 -0.226 . . . . 15.0 110.389 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 14.5 p -64.83 134.74 29.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 121.302 0.572 . . . . 15.0 111.454 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -122.22 43.42 2.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.004 -0.544 . . . . 15.0 110.856 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -68.76 -30.02 68.53 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.138 -0.483 . . . . 15.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.4 ' HB3' ' HB3' ' B' ' 109' ' ' ASP . 1.9 mm? -97.67 77.15 2.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.959 -0.564 . . . . 15.0 110.587 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -63.48 1.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.874 0.369 . . . . 15.0 111.97 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.91 -36.88 78.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.29 -0.414 . . . . 15.0 111.977 -178.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . 0.4 ' HB3' ' HB3' ' B' ' 106' ' ' LEU . 0.3 OUTLIER -56.73 -51.34 69.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.161 -0.472 . . . . 15.0 111.326 -179.333 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.03 -36.23 74.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.087 -0.506 . . . . 15.0 111.154 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.47 -50.24 72.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.433 -0.349 . . . . 15.0 110.645 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 99.4 mt -62.66 -47.75 82.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 15.0 110.858 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -60.11 -46.45 89.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.851 -0.613 . . . . 15.0 111.495 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -66.71 -46.13 76.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.634 -0.257 . . . . 15.0 110.956 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 27.7 tp -56.41 -50.1 72.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 15.0 110.716 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -62.89 -38.66 91.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.625 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -63.56 -45.59 89.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.335 -0.393 . . . . 15.0 111.161 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -68.91 -34.2 75.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.631 -0.259 . . . . 15.0 111.157 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.47 -45.27 60.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.136 0.493 . . . . 15.0 110.285 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.23 -18.87 61.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.949 -0.569 . . . . 15.0 111.552 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -52.6 -24.66 8.74 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 122.94 0.496 . . . . 15.0 112.332 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.28 -69.27 0.23 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.487 -0.324 . . . . 15.0 111.572 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -137.39 -4.78 1.84 Allowed 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.379 0.511 . . . . 15.0 112.379 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -97.64 11.22 37.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.516 -0.311 . . . . 15.0 110.581 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 33.6 tp -56.93 -37.85 72.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.235 -0.439 . . . . 15.0 111.874 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.13 -36.91 82.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.387 -0.369 . . . . 15.0 111.009 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 37.6 ttp85 -81.45 -25.1 36.4 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.579 -0.448 . . . . 15.0 109.986 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -59.32 -51.18 71.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 15.0 110.174 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.487 ' HG2' ' N ' ' B' ' 130' ' ' SER . 0.1 OUTLIER -63.08 -39.34 94.43 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.392 -0.367 . . . . 15.0 110.923 -179.729 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' SER . . . . . 0.487 ' N ' ' HG2' ' B' ' 129' ' ' LYS . 1.6 m -65.31 -42.44 93.02 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.044 0.449 . . . . 15.0 110.954 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -65.76 -42.5 90.79 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.096 -0.502 . . . . 15.0 109.793 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -43.87 79.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.73 -0.668 . . . . 15.0 110.355 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -53.46 53.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.415 -0.811 . . . . 15.0 112.072 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 134' ' ' ASP . . . . . 0.519 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 15.3 t70 -74.68 -32.27 62.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.284 -0.416 . . . . 15.0 112.002 -178.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -69.77 -39.66 76.52 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.709 0.29 . . . . 15.0 110.975 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -61.52 -43.38 98.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.161 -0.472 . . . . 15.0 110.947 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 137' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 3.9 ptpt -66.64 -20.43 65.99 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.417 -0.356 . . . . 15.0 110.881 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -85.05 -31.65 23.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.4 0.619 . . . . 15.0 109.402 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' B' ' 143' ' ' LYS . 49.5 mm-40 -75.61 -8.86 57.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.402 -0.817 . . . . 15.0 110.641 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.03 -59.46 4.88 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.311 0.382 . . . . 15.0 111.55 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 41.0 mp0 -79.11 -34.82 43.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.929 0.395 . . . . 15.0 110.745 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 9.2 ttp85 -62.09 -49.0 77.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.252 -0.431 . . . . 15.0 111.312 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' B' ' 139' ' ' GLU . 28.4 mmtm -68.5 -33.11 73.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.306 0.098 . . . . 15.0 110.971 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -55.99 -43.99 78.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 15.0 111.106 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -89.22 -28.44 19.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.223 -0.444 . . . . 15.0 111.567 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -68.16 -51.63 43.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.517 -0.311 . . . . 15.0 110.428 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -64.66 -31.0 72.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.165 0.507 . . . . 15.0 110.149 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -67.78 -49.2 63.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.672 -0.694 . . . . 15.0 110.821 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 20.2 tp -73.93 -42.25 60.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.97 0.414 . . . . 15.0 110.529 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -94.13 86.85 5.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.221 0.534 . . . . 15.0 110.565 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -74.84 -16.44 60.69 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.943 -0.572 . . . . 15.0 109.865 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 . . . . . 0 C--O 1.246 0.876 0 CA-C-O 118.507 -0.758 . . . . 15.0 109.517 178.626 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.233 0.192 0 N-CA-C 110.275 -0.269 . . . . 15.0 110.275 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -86.06 132.68 33.99 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.305 -0.407 . . . . 15.0 110.839 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -167.26 156.39 10.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 15.0 111.206 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.9 m -143.21 137.76 29.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.763 -0.653 . . . . 15.0 110.024 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.438 ' HG3' HG21 ' A' ' 82' ' ' ILE . 20.4 mmt -117.45 168.87 9.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.115 0.484 . . . . 15.0 111.526 -178.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -66.01 151.83 45.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.379 -0.828 . . . . 15.0 110.561 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -47.42 -65.69 2.24 Favored Glycine 0 C--N 1.332 0.354 0 O-C-N 123.487 0.492 . . . . 15.0 114.263 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 m -68.17 -42.89 79.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.967 0.413 . . . . 15.0 111.126 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 66' ' ' PRO . . . 72.5 31.76 62.78 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.727 -0.749 . . . . 15.0 112.924 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.05 -32.4 59.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.343 0.592 . . . . 15.0 109.728 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -89.23 27.17 1.46 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.451 -0.795 . . . . 15.0 109.886 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -67.85 114.84 6.76 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.668 -0.696 . . . . 15.0 110.679 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.58 19.53 18.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.789 -0.641 . . . . 15.0 109.852 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.41 164.5 52.5 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.266 -0.879 . . . . 15.0 113.013 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -112.93 106.24 14.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.879 0.371 . . . . 15.0 110.576 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 tt -155.06 126.48 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.641 -0.503 . . . . 15.0 109.641 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.77 3.88 27.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.225 -0.443 . . . . 15.0 111.726 -178.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -117.75 152.75 34.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.831 0.348 . . . . 15.0 110.639 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.4 p -89.82 179.33 6.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.39 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -66.02 -17.73 64.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.75 0.31 . . . . 15.0 111.229 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -93.17 -5.94 48.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.276 -0.42 . . . . 15.0 111.363 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.31 7.79 69.28 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.491 -0.862 . . . . 15.0 112.838 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.5 mt -84.34 157.02 21.62 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.896 -0.409 . . . . 15.0 109.896 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -81.78 139.78 34.61 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.109 0.481 . . . . 15.0 111.598 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 6.9 t -87.76 135.89 33.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.68 -0.691 . . . . 15.0 110.598 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -82.32 138.25 34.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.911 -0.586 . . . . 15.0 110.096 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.543 ' HB3' ' OG ' ' A' ' 34' ' ' SER . . . -65.19 138.56 58.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.965 0.412 . . . . 15.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -66.3 -20.75 66.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.502 -0.772 . . . . 15.0 111.179 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -103.16 4.81 37.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.46 -0.337 . . . . 15.0 111.051 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.543 ' OG ' ' HB3' ' A' ' 31' ' ' ALA . 24.0 m -91.1 128.68 37.01 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.846 -0.427 . . . . 15.0 109.846 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -90.86 43.01 1.13 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.336 0.495 . . . . 15.0 112.336 -178.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -67.28 139.6 94.91 Favored Pre-proline 0 C--O 1.235 0.336 0 N-CA-C 105.032 -2.21 . . . . 15.0 105.032 175.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -71.03 98.1 0.79 Allowed 'Trans proline' 0 N--CA 1.456 -0.687 0 CA-C-N 120.522 1.222 . . . . 15.0 114.045 -175.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.425 ' NE2' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -124.03 165.73 16.96 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 113.235 -1.802 . . . . 15.0 107.738 174.761 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -96.79 111.5 23.65 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.448 -1.315 . . . . 15.0 107.448 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -171.15 176.0 4.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.875 0.369 . . . . 15.0 111.373 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -145.07 39.36 1.19 Allowed Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.666 -0.697 . . . . 15.0 111.601 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -105.73 125.71 51.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.709 0.29 . . . . 15.0 111.121 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.536 HG22 ' H ' ' A' ' 45' ' ' SER . 35.6 mm -136.35 133.42 19.36 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 108.602 -0.888 . . . . 15.0 108.602 179.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -50.28 -34.85 41.8 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.072 2.515 . . . . 15.0 113.404 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.536 ' H ' HG22 ' A' ' 43' ' ' ILE . 1.4 m -71.62 -4.94 30.01 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.32 0.489 . . . . 15.0 112.32 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.506 ' CD ' ' HB ' ' A' ' 43' ' ' ILE . 39.9 mtpt -102.81 -17.96 15.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.988 0.423 . . . . 15.0 110.404 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.43 ' N ' ' HD3' ' A' ' 48' ' ' PRO . 81.0 m-85 -136.27 62.34 43.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 15.0 110.531 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 47' ' ' PHE . 3.3 Cg_exo -74.14 -27.27 11.92 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.501 2.134 . . . . 15.0 112.135 -178.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -75.87 -15.74 60.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 15.0 110.79 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -94.39 -0.05 55.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.134 -0.485 . . . . 15.0 110.324 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.9 t30 56.68 61.3 2.7 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.346 -0.843 . . . . 15.0 111.683 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 mp -93.64 110.38 21.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.023 -0.535 . . . . 15.0 109.649 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -146.4 152.79 39.63 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.183 -0.462 . . . . 15.0 109.809 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt 53.38 -129.29 2.32 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.722 0.639 . . . . 15.0 111.147 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.471 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . 29.7 p-10 -131.14 32.26 4.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.092 0.472 . . . . 15.0 110.292 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -72.38 147.48 46.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.815 -0.63 . . . . 15.0 110.501 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 5.8 t -67.55 126.76 30.33 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.129 -0.693 . . . . 15.0 109.129 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -137.55 176.13 8.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.74 0.305 . . . . 15.0 110.57 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -147.06 92.64 4.9 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-O 121.109 0.48 . . . . 15.0 109.852 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -84.5 -1.85 9.76 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.358 2.038 . . . . 15.0 113.63 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 62' ' ' ARG . 32.2 t70 -104.26 -24.8 13.08 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.904 -0.318 . . . . 15.0 111.555 -179.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 19.4 mtm180 74.99 37.96 0.46 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.688 0.618 . . . . 15.0 109.336 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -81.49 -169.59 2.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.539 -0.755 . . . . 15.0 111.104 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.08 -39.93 43.98 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.64 0.978 . . . . 15.0 113.64 -178.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -163.35 152.94 12.77 Favored Pre-proline 0 N--CA 1.468 0.425 0 CA-C-N 118.327 0.512 . . . . 15.0 112.028 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.405 ' HG3' ' O ' ' A' ' 13' ' ' GLY . 50.4 Cg_exo -53.2 149.43 28.35 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.144 2.563 . . . . 15.0 113.378 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 -146.8 171.22 15.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.238 -0.892 . . . . 15.0 109.789 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.598 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -161.12 155.25 22.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.412 -0.358 . . . . 15.0 110.601 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -73.68 143.21 46.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.114 -0.494 . . . . 15.0 109.809 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.47 156.79 17.08 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.789 0.328 . . . . 15.0 111.181 -179.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.73 34.93 1.28 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.422 0.63 . . . . 15.0 110.389 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 1.9 m-20 -114.46 127.23 27.03 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.639 -0.71 . . . . 15.0 110.081 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 31.9 Cg_exo -58.5 -21.01 52.11 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.778 2.319 . . . . 15.0 113.311 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -101.65 3.93 40.29 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.644 0.238 . . . . 15.0 111.644 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -141.06 115.15 9.21 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.81 -0.356 . . . . 15.0 110.971 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.425 ' HA ' ' NE2' ' A' ' 38' ' ' HIS . 81.0 mtt-85 -67.69 -63.22 1.1 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.184 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.2 p-90 -145.36 164.87 30.14 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.278 -0.638 . . . . 15.0 109.278 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -139.33 163.93 31.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.363 0.601 . . . . 15.0 111.55 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -86.49 162.45 18.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.742 -1.117 . . . . 15.0 110.87 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 8.0 t -116.76 144.82 44.01 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.056 -0.72 . . . . 15.0 109.056 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -111.56 105.11 13.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.78 0.324 . . . . 15.0 110.402 -178.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.438 HG21 ' HG3' ' A' ' 9' ' ' MET . 1.8 mt -128.2 134.08 25.85 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.134 -0.485 . . . . 15.0 109.95 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -65.49 123.4 11.39 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.31 2.006 . . . . 15.0 112.217 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.69 156.64 17.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.358 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.0 m -69.92 150.87 46.28 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.857 -0.61 . . . . 15.0 110.573 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.9 60.53 4.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.375 0.607 . . . . 15.0 110.672 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.237 -0.887 . . . . 15.0 109.839 -179.661 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.789 0 N-CA-C 112.28 -0.328 . . . . 15.0 112.28 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 6.0 t -146.42 -157.25 0.79 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.6 -0.518 . . . . 15.0 109.6 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 3.6 p -70.95 101.21 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.856 0.836 . . . . 15.0 109.855 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -116.4 15.73 15.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.206 -0.906 . . . . 15.0 110.601 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -59.33 -45.6 90.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.628 -0.715 . . . . 15.0 110.717 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -97.74 53.37 1.11 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.019 -0.537 . . . . 15.0 109.786 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -39.69 85.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.586 -0.734 . . . . 15.0 111.948 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.529 ' O ' ' HG ' ' B' ' 112' ' ' LEU . . . -74.2 -43.8 55.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.74 0.305 . . . . 15.0 110.53 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.07 -49.7 76.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.955 -0.566 . . . . 15.0 110.707 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.62 -38.28 90.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.829 -0.623 . . . . 15.0 111.146 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.56 -52.44 65.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.938 0.399 . . . . 15.0 110.605 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' B' ' 108' ' ' ALA . 41.7 mt -61.68 -43.96 97.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.83 -0.623 . . . . 15.0 111.076 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -64.12 -44.42 92.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.089 -0.505 . . . . 15.0 111.163 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -66.01 -47.64 73.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.714 -0.221 . . . . 15.0 111.241 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 36.7 tp -60.42 -44.14 96.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.76 0.314 . . . . 15.0 110.808 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -65.96 -46.57 77.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.029 -0.532 . . . . 15.0 110.653 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -62.52 -49.01 77.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.989 -0.551 . . . . 15.0 111.553 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.73 -34.18 75.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 15.0 111.804 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.6 -32.09 60.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.428 0.633 . . . . 15.0 109.956 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -78.38 -17.59 56.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.43 -0.804 . . . . 15.0 111.45 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.34 -24.19 0.45 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.339 0.866 . . . . 15.0 113.339 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -64.21 -59.77 4.02 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.515 0.198 . . . . 15.0 111.204 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -149.01 -31.16 0.24 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.731 0.271 . . . . 15.0 111.731 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.74 -8.71 15.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.376 -0.375 . . . . 15.0 111.594 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 25.1 tp -53.87 -34.05 58.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.386 . . . . 15.0 111.007 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -64.56 -46.49 82.56 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.072 -0.513 . . . . 15.0 110.266 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 52.9 ttp85 -71.98 -33.2 67.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.271 -0.422 . . . . 15.0 110.233 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -60.48 -39.52 87.98 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 108.342 -0.985 . . . . 15.0 108.342 178.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.437 ' HB2' ' HE3' ' B' ' 129' ' ' LYS . 17.8 ttmt -60.97 -47.05 88.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.486 -1.234 . . . . 15.0 110.019 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 1.4 m -68.98 -30.3 68.68 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.571 -0.74 . . . . 15.0 110.784 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -69.41 -45.68 68.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 15.0 110.071 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -33.4 68.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.936 -0.575 . . . . 15.0 110.151 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.6 -46.34 89.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.169 -0.923 . . . . 15.0 111.413 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 134' ' ' ASP . . . . . 0.621 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 32.7 t70 -84.54 -35.93 22.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.163 -0.471 . . . . 15.0 112.132 -178.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -62.65 -24.42 67.6 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.225 0.454 . . . . 15.0 112.225 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . 0.403 ' OD1' ' HD2' ' A' ' 76' ' ' ARG . 2.1 t70 -63.82 -44.75 92.29 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.173 0.434 . . . . 15.0 112.173 -178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 137' ' ' LYS . . . . . 0.621 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 8.2 ptpt -63.24 -30.92 71.97 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.899 0.381 . . . . 15.0 110.354 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -79.12 -36.43 40.62 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.506 -0.553 . . . . 15.0 109.506 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.17 -42.92 95.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.47 -0.786 . . . . 15.0 110.034 179.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.17 93.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.107 -0.497 . . . . 15.0 110.592 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -68.15 -28.44 67.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.792 -0.64 . . . . 15.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' B' ' 142' ' ' ARG . 13.1 ttp180 -87.45 -55.0 3.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.097 -0.501 . . . . 15.0 111.585 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . 0.435 ' HA ' ' HB3' ' B' ' 146' ' ' GLU . 42.1 mmtm -56.89 -27.44 60.67 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.532 0.567 . . . . 15.0 112.532 -178.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -52.81 -47.98 67.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 15.0 110.632 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -91.2 -41.59 10.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 15.0 111.035 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 146' ' ' GLU . . . . . 0.435 ' HB3' ' HA ' ' B' ' 143' ' ' LYS . 28.7 tt0 -55.59 -53.7 53.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.671 -0.695 . . . . 15.0 112.336 -178.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -70.62 -26.09 63.33 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.115 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -69.85 -46.95 64.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.113 -0.494 . . . . 15.0 110.256 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 38.7 tp -67.18 -44.25 80.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.348 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -77.35 97.71 4.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.919 0.39 . . . . 15.0 110.709 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 151' ' ' ASP . . . . . 0.401 ' OD2' ' HD1' ' B' ' 152' ' ' TYR . 8.4 p-10 -77.4 -26.1 51.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.261 -0.427 . . . . 15.0 110.995 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 152' ' ' TYR . . . . . 0.401 ' HD1' ' OD2' ' B' ' 151' ' ' ASP . 3.1 m-85 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.396 -0.812 . . . . 15.0 110.386 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.813 0.339 . . . . 15.0 110.455 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -130.09 128.03 41.05 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.467 -0.333 . . . . 15.0 110.271 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -163.38 161.03 24.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.394 . . . . 15.0 110.514 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.404 ' HB3' ' SG ' ' A' ' 85' ' ' CYS . 57.1 m -143.56 135.13 26.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.343 -0.389 . . . . 15.0 110.446 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.2 mmt -113.94 160.43 18.82 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.868 0.366 . . . . 15.0 111.176 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -81.49 96.76 7.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.659 -0.7 . . . . 15.0 112.028 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 44.04 -109.41 0.25 Allowed Glycine 0 C--N 1.332 0.313 0 CA-C-N 115.092 -0.958 . . . . 15.0 114.912 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.428 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 71.4 m -68.96 -26.45 65.06 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.417 0.525 . . . . 15.0 112.417 -178.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.86 52.8 50.12 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.517 -0.849 . . . . 15.0 111.681 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -67.8 -17.43 64.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.051 0.453 . . . . 15.0 111.018 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -109.01 24.27 13.37 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.293 0.568 . . . . 15.0 109.763 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -69.53 109.14 4.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.762 -0.653 . . . . 15.0 110.099 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.462 ' HA ' ' NH2' ' A' ' 58' ' ' ARG . 26.6 t0 -113.78 32.46 5.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.397 0.618 . . . . 15.0 109.997 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.87 144.05 28.39 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.52 -0.764 . . . . 15.0 111.733 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -80.06 105.81 11.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.402 0.62 . . . . 15.0 111.022 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.9 tt -158.0 131.52 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.209 -0.905 . . . . 15.0 109.557 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.94 32.99 5.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.023 0.439 . . . . 15.0 110.734 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -137.1 147.22 45.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.069 -0.514 . . . . 15.0 110.516 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.407 HG21 ' HB2' ' A' ' 78' ' ' GLU . 3.3 p -88.95 177.8 6.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.074 -0.512 . . . . 15.0 110.376 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -70.04 -15.33 62.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 15.0 110.217 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.5 m -88.24 2.23 52.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 15.0 110.69 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.7 24.11 75.24 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 120.946 -0.645 . . . . 15.0 112.596 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.2 mt -96.89 163.49 12.95 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.144 -0.317 . . . . 15.0 110.144 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -88.51 141.31 28.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.05 0.452 . . . . 15.0 111.106 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.572 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 43.0 t -91.38 140.31 29.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.737 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -86.04 147.67 26.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.557 -0.747 . . . . 15.0 109.495 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.23 139.37 50.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.82 0.343 . . . . 15.0 110.145 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -65.17 -23.02 66.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.754 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -101.84 13.84 33.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.19 -0.459 . . . . 15.0 111.29 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -81.2 168.77 18.15 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.624 0.249 . . . . 15.0 110.83 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 35' ' ' GLN . 1.4 mm-40 -118.12 22.47 12.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.395 -0.366 . . . . 15.0 111.845 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.41 133.33 94.39 Favored Pre-proline 0 N--CA 1.45 -0.442 0 N-CA-C 105.974 -1.862 . . . . 15.0 105.974 177.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.31 101.06 1.2 Allowed 'Trans proline' 0 N--CA 1.455 -0.748 0 CA-C-N 119.584 0.887 . . . . 15.0 114.153 -175.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.459 ' CD2' ' HG2' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -122.57 162.91 20.94 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 113.931 -1.486 . . . . 15.0 108.348 175.22 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.19 111.83 23.59 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.536 -0.913 . . . . 15.0 108.536 176.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -171.5 -178.97 2.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.821 0.343 . . . . 15.0 111.055 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.83 25.05 0.73 Allowed Glycine 0 N--CA 1.452 -0.299 0 N-CA-C 111.418 -0.673 . . . . 15.0 111.418 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.415 ' CE2' ' HG3' ' B' ' 129' ' ' LYS . 14.6 m-85 -97.93 109.18 21.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.04 0.447 . . . . 15.0 110.559 -179.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.8 mm -112.02 135.52 21.27 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 115.662 -0.699 . . . . 15.0 109.275 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -50.14 -34.03 37.66 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.934 2.423 . . . . 15.0 113.542 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.59 -16.47 64.19 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.908 0.385 . . . . 15.0 111.455 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -94.06 -11.94 29.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.434 -0.348 . . . . 15.0 110.503 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -134.73 61.96 51.07 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.15 -0.477 . . . . 15.0 110.972 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -73.31 -24.25 16.85 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 121.92 1.747 . . . . 15.0 112.147 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -80.43 -21.74 41.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.664 -0.698 . . . . 15.0 111.099 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt -87.45 0.91 54.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.881 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.1 t30 55.43 53.09 10.28 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.656 -0.702 . . . . 15.0 111.63 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 mp -83.81 110.44 18.35 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.198 -0.667 . . . . 15.0 109.198 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -147.66 150.25 34.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.444 -0.344 . . . . 15.0 110.52 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt 54.76 -136.16 1.33 Allowed 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.739 0.65 . . . . 15.0 111.594 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -127.21 35.07 4.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.512 0.672 . . . . 15.0 109.81 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -83.58 147.34 27.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.543 -0.753 . . . . 15.0 110.499 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 14.8 t -61.62 126.66 28.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.934 -0.575 . . . . 15.0 110.016 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.462 ' NH2' ' HA ' ' A' ' 17' ' ' ASP . 2.2 mmp_? -133.2 165.15 25.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.133 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -136.78 81.93 33.24 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 121.136 0.493 . . . . 15.0 110.125 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -85.52 6.33 5.67 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.578 2.185 . . . . 15.0 112.835 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -110.88 -13.97 14.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.623 0.249 . . . . 15.0 111.227 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 63.45 36.07 11.61 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.005 -0.543 . . . . 15.0 110.774 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.58 -171.74 2.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 15.0 110.907 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.1 mp -51.78 -46.55 64.21 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.182 0.808 . . . . 15.0 113.182 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.408 ' NH2' ' HA ' ' A' ' 81' ' ' ASP . 2.4 ptm180 -152.92 146.41 18.03 Favored Pre-proline 0 N--CA 1.465 0.308 0 C-N-CA 121.019 -0.272 . . . . 15.0 111.597 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 12' ' ' SER . 61.0 Cg_exo -51.37 142.35 37.95 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.196 2.597 . . . . 15.0 113.909 -179.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 18.7 p-90 -130.88 176.87 7.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.788 -1.097 . . . . 15.0 109.472 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.572 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -161.93 149.03 14.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.795 0.331 . . . . 15.0 110.995 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -74.4 134.98 42.4 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.4 -0.593 . . . . 15.0 109.4 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.54 174.95 6.86 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 120.652 0.263 . . . . 15.0 110.808 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.14 17.19 23.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.21 0.529 . . . . 15.0 110.384 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.45 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.8 OUTLIER -95.32 134.68 24.09 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.546 -0.752 . . . . 15.0 110.23 -179.691 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 17.0 Cg_exo -66.13 -27.74 49.13 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.368 2.045 . . . . 15.0 112.678 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -87.67 -8.32 56.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.196 -0.456 . . . . 15.0 111.812 -178.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -141.36 108.55 5.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.79 0.329 . . . . 15.0 110.383 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.459 ' HG2' ' CD2' ' A' ' 38' ' ' HIS . 26.6 mtm-85 -67.05 -49.84 63.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.093 -0.503 . . . . 15.0 111.309 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.2 p-90 -147.68 159.49 43.73 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.011 -0.54 . . . . 15.0 109.976 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.407 ' HB2' HG21 ' A' ' 23' ' ' THR . 27.7 mm-40 -145.93 173.36 12.21 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.146 -0.316 . . . . 15.0 110.146 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -95.36 161.76 13.95 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.149 0.499 . . . . 15.0 111.289 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 6.9 t -117.39 160.38 21.25 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.117 -0.697 . . . . 15.0 109.117 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.408 ' HA ' ' NH2' ' A' ' 65' ' ' ARG . 38.0 t70 -111.51 110.74 21.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.033 0.444 . . . . 15.0 111.253 -179.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.8 mt -124.37 130.18 24.42 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.787 -0.642 . . . . 15.0 109.933 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.94 123.57 12.85 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.672 2.248 . . . . 15.0 112.07 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -104.01 159.57 15.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.222 -0.445 . . . . 15.0 111.02 -178.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 55.7 m -73.62 165.43 25.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.078 -0.51 . . . . 15.0 110.275 178.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.26 8.31 24.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.883 0.373 . . . . 15.0 111.159 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.497 -0.763 . . . . 15.0 110.784 -179.85 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 112.154 -0.378 . . . . 15.0 112.154 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 4.1 t -149.12 -153.04 0.47 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.091 -0.707 . . . . 15.0 109.091 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.428 HG13 ' O ' ' B' ' 103' ' ' VAL . 7.0 p -77.0 81.0 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-O 122.323 1.059 . . . . 15.0 110.361 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -92.35 -2.22 56.52 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.478 -0.783 . . . . 15.0 111.134 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -62.37 -42.25 99.26 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.154 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -87.26 50.38 2.0 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.716 -0.475 . . . . 15.0 109.716 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.49 -46.23 76.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.365 -0.834 . . . . 15.0 112.302 -178.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.464 ' O ' ' HG ' ' B' ' 112' ' ' LEU . . . -81.67 -44.55 16.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.876 0.324 . . . . 15.0 111.876 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.27 -48.69 79.64 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.438 -0.347 . . . . 15.0 111.793 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.71 78.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 15.0 110.762 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.44 -50.95 67.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 15.0 110.763 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 108' ' ' ALA . 83.0 mt -58.54 -42.69 88.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 15.0 110.946 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -68.36 -42.76 78.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 15.0 111.147 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 38.5 ttm-85 -66.84 -46.98 73.36 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.107 0.254 . . . . 15.0 110.61 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 18.5 tp -55.65 -48.8 74.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.896 -0.593 . . . . 15.0 110.442 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -63.37 -45.87 89.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.455 -0.793 . . . . 15.0 110.614 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -62.27 -41.37 98.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.501 . . . . 15.0 111.474 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -66.79 -33.63 76.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.959 0.409 . . . . 15.0 110.947 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -79.08 -38.55 36.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.134 0.492 . . . . 15.0 110.389 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.86 -18.34 62.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.875 -0.602 . . . . 15.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -52.36 -24.98 8.58 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.761 -0.654 . . . . 15.0 112.168 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -59.3 -71.32 0.12 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.676 0.274 . . . . 15.0 111.114 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -149.35 16.66 0.92 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 15.0 111.807 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -111.33 3.31 18.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.927 0.394 . . . . 15.0 110.033 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 29.6 tp -60.04 -39.06 84.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.716 -0.674 . . . . 15.0 111.441 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -61.52 -43.99 97.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.174 -0.466 . . . . 15.0 110.803 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 24.2 ttp85 -77.0 -36.86 56.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.39 -0.368 . . . . 15.0 110.717 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -58.53 -36.26 73.58 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.539 -0.541 . . . . 15.0 109.539 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.415 ' HG3' ' CE2' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -58.57 -52.91 63.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.459 -0.791 . . . . 15.0 110.279 179.262 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' B' ' 133' ' ' HIS . 6.2 m -67.89 -29.84 69.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.788 -0.642 . . . . 15.0 111.074 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -70.04 -42.65 72.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.819 -0.437 . . . . 15.0 109.819 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -32.26 66.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.065 -0.516 . . . . 15.0 110.179 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 133' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' B' ' 130' ' ' SER . 0.8 OUTLIER -60.17 -52.55 64.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.373 -0.83 . . . . 15.0 111.142 179.358 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 134' ' ' ASP . . . . . 0.577 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 0.7 OUTLIER -79.04 -26.07 43.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.053 -0.521 . . . . 15.0 111.903 -178.381 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -73.44 -30.1 62.99 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 121.143 -0.223 . . . . 15.0 111.502 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -68.81 -40.59 79.48 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.02 0.378 . . . . 15.0 112.02 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 137' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 13.9 ptpt -64.41 -29.08 70.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.19 0.519 . . . . 15.0 110.072 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -73.7 -32.58 64.0 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.154 -0.684 . . . . 15.0 109.154 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -68.15 -24.37 64.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.399 -0.819 . . . . 15.0 110.61 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -59.9 -56.46 21.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.384 -0.371 . . . . 15.0 111.104 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.13 -27.18 60.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.309 -0.405 . . . . 15.0 111.219 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 42.7 ttp85 -71.98 -55.59 7.17 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.921 -0.312 . . . . 15.0 110.598 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -62.08 -32.02 72.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.381 -0.372 . . . . 15.0 111.997 -179.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.01 -45.63 71.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 15.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -90.36 -38.32 13.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.1 -0.5 . . . . 15.0 111.182 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.13 -51.92 67.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.921 -0.581 . . . . 15.0 112.442 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.92 -30.66 70.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.733 0.302 . . . . 15.0 111.122 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -71.77 -23.09 61.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.398 0.618 . . . . 15.0 110.054 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 24.4 tp -91.35 -54.47 3.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.747 -0.661 . . . . 15.0 109.883 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -93.6 79.74 4.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.778 -0.647 . . . . 15.0 110.294 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -73.07 -16.55 61.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.858 -0.61 . . . . 15.0 111.274 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 . . . . . 0 C--O 1.245 0.819 0 CA-C-O 118.282 -0.866 . . . . 15.0 110.195 178.952 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.877 0.37 . . . . 15.0 111.304 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -116.83 114.43 23.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.377 -0.374 . . . . 15.0 110.361 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -158.53 175.25 13.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.329 -0.396 . . . . 15.0 111.114 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.3 m -149.35 144.13 26.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.119 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.1 mmt -113.42 166.36 11.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.502 -0.317 . . . . 15.0 110.311 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -88.25 97.69 11.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.101 0.408 . . . . 15.0 112.101 -178.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 50.85 -117.39 5.29 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.331 -0.85 . . . . 15.0 114.147 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.523 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -64.86 -24.87 67.67 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.475 0.31 . . . . 15.0 111.774 -179.206 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.02 49.09 49.96 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.643 -0.789 . . . . 15.0 112.071 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -65.04 -29.27 70.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.387 0.613 . . . . 15.0 110.31 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -94.47 26.92 3.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.62 -0.718 . . . . 15.0 110.656 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -74.68 109.66 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.701 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -113.28 18.9 17.5 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.688 -0.856 . . . . 15.0 108.688 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.6 155.44 33.11 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.253 -0.885 . . . . 15.0 112.669 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -96.33 106.03 18.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.027 0.442 . . . . 15.0 110.791 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.9 tt -159.07 129.82 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.92 -0.582 . . . . 15.0 109.75 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.1 21.9 12.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.17 -0.468 . . . . 15.0 111.222 -179.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -131.95 146.39 52.06 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.368 -0.378 . . . . 15.0 110.306 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.4 p -87.17 179.68 6.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -65.24 -22.49 66.88 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.876 0.37 . . . . 15.0 111.377 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 m -88.23 2.94 51.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.302 -0.408 . . . . 15.0 111.075 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.77 20.02 79.67 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.924 -0.655 . . . . 15.0 112.781 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.5 mt -91.92 150.71 20.88 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.642 -0.328 . . . . 15.0 110.296 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -71.91 138.82 48.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.121 -0.49 . . . . 15.0 111.508 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.596 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 8.0 t -95.01 138.91 32.11 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.78 -0.646 . . . . 15.0 110.43 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -83.43 149.25 26.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.989 -0.55 . . . . 15.0 109.851 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.559 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -73.39 139.8 46.16 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.28 -0.267 . . . . 15.0 110.28 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -66.63 -26.43 67.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.216 0.531 . . . . 15.0 110.758 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.01 -0.05 57.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.008 -0.542 . . . . 15.0 111.235 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.559 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 24.9 t -80.31 162.44 24.56 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.832 -0.803 . . . . 15.0 108.832 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -124.71 36.64 4.56 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.669 -0.412 . . . . 15.0 111.405 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.07 140.2 95.77 Favored Pre-proline 0 N--CA 1.453 -0.308 0 N-CA-C 105.66 -1.978 . . . . 15.0 105.66 176.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -71.64 98.6 0.88 Allowed 'Trans proline' 0 N--CA 1.456 -0.695 0 CA-C-N 120.416 1.184 . . . . 15.0 113.998 -175.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -124.04 164.16 19.96 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 113.214 -1.812 . . . . 15.0 107.827 175.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.62 112.39 21.55 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 107.889 -1.152 . . . . 15.0 107.889 176.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -171.39 179.2 3.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.478 0.656 . . . . 15.0 112.151 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -155.18 24.98 0.6 Allowed Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 109.848 -1.301 . . . . 15.0 109.848 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -90.3 113.01 24.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.993 -0.604 . . . . 15.0 111.74 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.3 mm -119.46 132.23 24.08 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 108.82 -0.808 . . . . 15.0 108.82 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -48.97 -32.71 23.93 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.199 2.599 . . . . 15.0 113.685 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -20.84 65.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.807 0.336 . . . . 15.0 111.609 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.408 ' C ' ' HD3' ' A' ' 48' ' ' PRO . 47.0 mtpt -88.46 -20.42 25.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.043 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.443 ' N ' ' HD3' ' A' ' 48' ' ' PRO . 8.3 m-85 -132.09 61.74 59.55 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.649 -0.251 . . . . 15.0 111.52 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 47' ' ' PHE . 4.4 Cg_exo -79.1 -21.19 9.5 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.443 2.095 . . . . 15.0 111.74 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -79.3 -11.74 59.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.6 -0.727 . . . . 15.0 111.081 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -106.05 9.73 32.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.964 0.411 . . . . 15.0 110.431 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.6 t30 51.3 60.75 3.64 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.318 -0.855 . . . . 15.0 111.501 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 tp -84.45 109.98 18.3 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.883 -0.784 . . . . 15.0 108.883 178.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -149.06 146.79 27.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.313 -0.403 . . . . 15.0 111.05 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 50.48 -138.94 0.95 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.636 -0.711 . . . . 15.0 111.714 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.3 p-10 -116.78 43.69 2.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.454 0.645 . . . . 15.0 110.799 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -88.56 141.06 28.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.633 -0.712 . . . . 15.0 110.728 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.8 t -67.52 129.78 40.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.039 -0.528 . . . . 15.0 109.632 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 mmt85 -138.87 167.25 22.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.687 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -127.68 86.05 59.3 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 109.722 -0.473 . . . . 15.0 109.722 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -87.99 -0.52 7.08 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.682 2.255 . . . . 15.0 113.637 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -107.97 -13.0 15.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.852 0.358 . . . . 15.0 110.728 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 67.08 33.85 5.42 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 109.275 -0.639 . . . . 15.0 109.275 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.39 -170.86 2.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.161 -0.927 . . . . 15.0 111.058 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 12' ' ' SER . 24.2 mt -49.42 -47.81 47.69 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 113.153 0.797 . . . . 15.0 113.153 -178.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -159.45 150.68 16.32 Favored Pre-proline 0 C--N 1.33 -0.281 0 C-N-CA 120.863 -0.335 . . . . 15.0 111.535 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.523 ' HD3' ' O ' ' A' ' 12' ' ' SER . 81.0 Cg_exo -47.64 140.8 16.38 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.319 2.679 . . . . 15.0 113.686 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 -137.53 175.79 9.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.012 -0.995 . . . . 15.0 109.834 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.596 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 1.1 p -164.28 159.98 20.52 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.638 0.256 . . . . 15.0 110.874 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -79.68 148.61 31.52 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.652 -0.499 . . . . 15.0 109.652 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.69 179.54 5.33 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.494 -0.321 . . . . 15.0 111.376 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.6 6.19 19.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.482 0.658 . . . . 15.0 110.534 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -106.15 122.62 41.64 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.586 -0.734 . . . . 15.0 109.507 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.78 -21.65 26.46 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.007 2.471 . . . . 15.0 113.653 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -79.48 -11.64 59.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.619 -0.264 . . . . 15.0 111.483 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.6 tptp -133.95 123.67 25.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.145 0.497 . . . . 15.0 110.409 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.07 -63.08 1.39 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.108 -0.496 . . . . 15.0 111.303 -178.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -147.24 150.85 35.65 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.51 -0.552 . . . . 15.0 109.51 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -135.47 163.36 30.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.267 0.555 . . . . 15.0 111.668 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -88.29 161.75 16.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.061 -0.972 . . . . 15.0 111.928 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.3 t -119.48 137.7 53.62 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.655 -0.869 . . . . 15.0 108.655 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -97.92 107.76 20.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.985 0.421 . . . . 15.0 111.144 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.6 mt -123.54 128.34 25.24 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.758 -0.656 . . . . 15.0 110.254 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.63 127.4 23.52 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.891 2.394 . . . . 15.0 113.04 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.95 168.09 9.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.774 -0.648 . . . . 15.0 110.418 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 23.0 m -76.59 150.16 36.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.672 0.272 . . . . 15.0 110.744 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.86 -22.16 46.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.114 -0.494 . . . . 15.0 111.578 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.649 -0.691 . . . . 15.0 110.984 -179.581 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 111.771 -0.532 . . . . 15.0 111.771 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 14.3 t -123.65 -167.68 1.66 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.412 -0.588 . . . . 15.0 109.412 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 2.8 p -72.05 88.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 122.265 1.031 . . . . 15.0 109.793 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -105.74 39.92 1.67 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.952 -1.022 . . . . 15.0 111.05 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -58.68 -45.7 88.85 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.7 -0.682 . . . . 15.0 110.984 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -84.16 62.56 7.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.269 -0.423 . . . . 15.0 110.148 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.455 ' O ' ' HB2' ' B' ' 111' ' ' GLU . 0.2 OUTLIER -66.27 -58.76 4.67 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.022 -0.535 . . . . 15.0 111.848 -179.088 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.35 -35.17 31.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.446 -0.343 . . . . 15.0 111.867 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.28 -49.84 75.44 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.136 -0.484 . . . . 15.0 111.748 -178.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.24 -25.89 58.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.717 0.294 . . . . 15.0 111.048 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' B' ' 107' ' ' THR . 38.8 tt0 -56.87 -50.19 73.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.011 -0.541 . . . . 15.0 110.683 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 42.4 mt -68.51 -39.32 81.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.806 -0.633 . . . . 15.0 110.62 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -62.11 -51.1 69.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.118 -0.492 . . . . 15.0 111.182 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -62.81 -42.84 99.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.715 -0.221 . . . . 15.0 110.654 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 14.4 tp -56.84 -50.94 70.91 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.16 -0.473 . . . . 15.0 110.308 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -65.74 -42.49 90.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.797 -0.638 . . . . 15.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -60.42 -39.84 88.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.525 -0.307 . . . . 15.0 111.091 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -67.08 -40.1 86.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.637 -0.256 . . . . 15.0 110.695 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.2 -37.95 69.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.175 0.512 . . . . 15.0 110.612 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.92 -19.0 60.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.259 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -58.5 -17.12 18.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 15.0 111.803 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -69.34 -56.0 8.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.543 -0.299 . . . . 15.0 111.076 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -153.54 -25.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.36 0.504 . . . . 15.0 112.36 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -80.91 15.83 1.67 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.729 0.3 . . . . 15.0 111.58 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 15.8 tp -65.0 -27.94 69.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.882 0.372 . . . . 15.0 110.587 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.492 ' HA ' ' HE3' ' B' ' 129' ' ' LYS . 62.5 mm-40 -66.33 -44.31 83.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.354 0.597 . . . . 15.0 109.598 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 66.8 ttp85 -70.32 -32.49 70.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.671 -0.695 . . . . 15.0 109.885 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.79 -39.93 93.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.481 -0.782 . . . . 15.0 110.038 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.492 ' HE3' ' HA ' ' B' ' 126' ' ' GLU . 21.5 mtmt -62.39 -55.91 23.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 15.0 110.868 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 14.7 m -60.6 -36.3 78.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.916 -0.584 . . . . 15.0 111.51 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -66.47 -36.94 84.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.419 -0.355 . . . . 15.0 110.669 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -30.55 69.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 15.0 110.826 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.3 -47.77 69.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.743 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 134' ' ' ASP . . . . . 0.596 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 18.2 t70 -73.19 -39.42 65.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.143 -0.481 . . . . 15.0 111.368 -178.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -62.98 -32.19 73.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.524 -0.307 . . . . 15.0 111.352 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.43 -46.74 78.74 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.921 0.341 . . . . 15.0 111.921 -178.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 137' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 6.3 ptpt -63.91 -27.9 69.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.759 0.314 . . . . 15.0 110.76 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -80.4 -34.75 36.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.246 0.546 . . . . 15.0 109.957 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -65.29 -41.09 94.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.539 -0.755 . . . . 15.0 110.891 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.55 -27.88 68.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.336 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.79 -35.98 62.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 15.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' B' ' 142' ' ' ARG . 15.7 ttp85 -82.54 -48.15 11.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.35 -0.386 . . . . 15.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -57.82 -27.09 62.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.995 -0.548 . . . . 15.0 112.308 -178.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -58.88 -45.04 91.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.865 0.364 . . . . 15.0 110.949 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.23 -34.64 15.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.253 -0.43 . . . . 15.0 110.841 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -59.35 -53.56 56.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.708 -0.678 . . . . 15.0 111.869 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.45 -20.89 62.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.253 0.549 . . . . 15.0 111.123 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -77.65 -34.53 53.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.847 -0.615 . . . . 15.0 110.392 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 11.8 tp -85.21 -45.37 12.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.942 -0.572 . . . . 15.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -112.74 107.72 16.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.262 -0.426 . . . . 15.0 110.599 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -69.37 -31.79 70.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 15.0 110.895 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.325 -0.845 . . . . 15.0 110.096 179.334 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.004 -0.369 . . . . 15.0 110.004 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -134.32 111.29 10.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.857 0.361 . . . . 15.0 111.076 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -152.01 167.07 29.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.237 -0.438 . . . . 15.0 110.647 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 69.6 m -147.8 139.69 24.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.469 . . . . 15.0 110.093 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 19.1 mmt -115.02 161.86 17.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.931 0.396 . . . . 15.0 111.321 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -77.79 97.03 5.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.726 -0.67 . . . . 15.0 111.517 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 46.73 -112.71 0.96 Allowed Glycine 0 C--N 1.333 0.391 0 CA-C-N 115.913 -0.585 . . . . 15.0 114.123 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.565 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -66.64 -29.89 70.03 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.096 0.406 . . . . 15.0 112.096 -178.844 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.6 59.47 8.18 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.925 -0.655 . . . . 15.0 112.098 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -35.37 71.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.033 0.444 . . . . 15.0 110.303 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -87.79 27.38 1.16 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.83 -0.623 . . . . 15.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -74.38 117.03 15.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.808 -0.633 . . . . 15.0 110.311 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -125.9 32.25 5.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.332 0.587 . . . . 15.0 110.007 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.81 161.64 54.28 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.451 -0.795 . . . . 15.0 112.275 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -90.21 104.99 17.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.044 0.449 . . . . 15.0 110.894 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 tt -159.22 128.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.703 -0.68 . . . . 15.0 109.923 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.32 25.48 6.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.883 -0.598 . . . . 15.0 110.58 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -131.9 152.85 50.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.852 -0.613 . . . . 15.0 110.266 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.7 p -92.04 175.62 6.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.302 -0.408 . . . . 15.0 110.919 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -67.04 -19.01 65.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.657 0.265 . . . . 15.0 111.076 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -88.96 -0.99 57.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.86 0.362 . . . . 15.0 110.964 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.83 21.38 66.12 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.879 -0.677 . . . . 15.0 112.558 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.3 mt -96.28 155.18 16.87 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.317 -0.253 . . . . 15.0 110.317 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -74.26 141.98 45.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.138 0.494 . . . . 15.0 111.16 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.636 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 36.9 t -91.41 138.57 31.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.771 -0.649 . . . . 15.0 110.792 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -85.14 146.16 27.26 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.071 -0.714 . . . . 15.0 109.071 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -71.74 142.97 49.76 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 121.122 -0.231 . . . . 15.0 110.466 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -66.02 -24.48 66.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.069 0.461 . . . . 15.0 110.882 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -104.07 13.79 31.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.062 -0.517 . . . . 15.0 110.959 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.504 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 30.5 t -70.47 166.6 20.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 15.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -122.78 17.38 10.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.903 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.0 m -66.32 144.48 98.72 Favored Pre-proline 0 C--O 1.235 0.319 0 N-CA-C 105.895 -1.891 . . . . 15.0 105.895 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.412 ' CG ' ' HB3' ' B' ' 102' ' ' SER . 2.9 Cg_endo -76.25 98.9 1.23 Allowed 'Trans proline' 0 N--CA 1.448 -1.175 0 CA-C-N 120.091 1.068 . . . . 15.0 114.285 -174.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.442 ' NE2' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -124.35 164.08 20.38 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 113.443 -1.708 . . . . 15.0 108.181 174.445 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.56 112.53 24.92 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 119.457 -0.897 . . . . 15.0 109.267 177.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -170.6 -177.5 2.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.669 0.271 . . . . 15.0 111.265 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.51 35.25 0.75 Allowed Glycine 0 C--N 1.33 0.236 0 C-N-CA 121.033 -0.603 . . . . 15.0 111.828 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -106.77 112.49 25.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.883 0.373 . . . . 15.0 110.805 -179.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.8 mm -116.59 136.56 23.18 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.813 -0.63 . . . . 15.0 109.477 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -50.47 -33.58 38.72 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.821 2.347 . . . . 15.0 112.859 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 m -68.08 -22.63 64.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.356 . . . . 15.0 111.065 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -90.2 -12.69 37.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 15.0 110.469 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -136.49 60.71 33.47 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.42 -11.37 15.86 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.236 1.957 . . . . 15.0 111.666 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.2 p-10 -89.93 -7.47 54.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.436 -0.802 . . . . 15.0 110.566 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -106.94 2.94 25.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 15.0 110.306 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 56.8 t30 53.88 54.91 9.08 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.465 -0.789 . . . . 15.0 111.856 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 mp -84.3 110.08 18.31 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.47 -0.567 . . . . 15.0 109.47 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -142.84 143.61 32.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.55 -0.295 . . . . 15.0 110.812 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 53.16 -136.44 1.37 Allowed 'General case' 0 CA--C 1.532 0.264 0 O-C-N 123.855 0.722 . . . . 15.0 111.762 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -121.43 46.65 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.186 0.517 . . . . 15.0 110.878 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -97.17 145.23 26.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.244 -0.435 . . . . 15.0 110.559 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 41.2 t -63.09 131.26 47.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 15.0 110.549 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -137.56 164.31 29.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 15.0 110.565 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -126.43 81.85 67.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.024 -0.732 . . . . 15.0 109.024 178.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -86.87 -2.44 8.14 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.537 2.158 . . . . 15.0 113.63 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.493 ' OD2' ' HG3' ' B' ' 129' ' ' LYS . 32.2 t70 -107.63 -11.94 15.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.716 0.293 . . . . 15.0 111.609 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' A' ' 62' ' ' ARG . 31.4 mtm105 65.63 32.29 9.28 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.474 -0.565 . . . . 15.0 109.474 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -78.04 -171.95 2.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.637 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.458 ' O ' ' HA ' ' A' ' 12' ' ' SER . 54.9 mt -50.72 -41.94 56.73 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.906 0.706 . . . . 15.0 112.906 -178.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.536 ' HD2' ' O ' ' A' ' 80' ' ' CYS . 17.4 ptt180 -162.87 149.55 10.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.559 0.219 . . . . 15.0 111.372 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.565 ' HD3' ' O ' ' A' ' 12' ' ' SER . 58.5 Cg_exo -50.5 148.5 15.01 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.298 2.665 . . . . 15.0 113.727 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -138.18 177.9 7.53 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.951 -1.022 . . . . 15.0 109.305 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.636 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -160.82 149.77 16.71 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 121.044 -0.263 . . . . 15.0 111.008 179.724 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.548 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 56.6 m-85 -74.78 146.14 42.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 15.0 110.051 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.58 158.95 16.14 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.582 -0.281 . . . . 15.0 110.829 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 p -90.32 -3.51 57.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.248 0.547 . . . . 15.0 110.705 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -76.51 126.56 86.04 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.382 -0.827 . . . . 15.0 110.657 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -62.07 -17.98 59.19 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.763 2.309 . . . . 15.0 113.197 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -94.56 1.41 55.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.321 -0.4 . . . . 15.0 111.828 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.33 119.04 6.11 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.952 -0.299 . . . . 15.0 110.637 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.504 HH22 ' HB3' ' B' ' 139' ' ' GLU . 34.3 mtm-85 -72.41 -43.88 63.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.445 -0.343 . . . . 15.0 110.821 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.548 ' HB3' ' CD1' ' A' ' 69' ' ' PHE . 51.9 p-90 -154.93 163.5 40.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.139 -0.482 . . . . 15.0 110.028 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -139.65 167.16 22.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.878 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -81.96 160.01 23.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.488 -0.778 . . . . 15.0 110.581 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.536 ' O ' ' HD2' ' A' ' 65' ' ' ARG . 7.4 t -119.4 143.26 47.55 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.351 -0.611 . . . . 15.0 109.351 178.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -103.47 108.91 20.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.99 0.424 . . . . 15.0 110.413 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.8 mt -127.98 129.49 23.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.828 -0.624 . . . . 15.0 109.895 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -65.35 126.65 16.66 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.661 2.24 . . . . 15.0 112.234 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.75 155.85 18.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.509 -0.314 . . . . 15.0 110.756 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 55.7 m -69.01 153.92 42.97 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.392 -0.367 . . . . 15.0 110.169 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.63 -26.08 63.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.195 0.521 . . . . 15.0 110.576 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.415 -0.802 . . . . 15.0 109.906 179.643 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 111.847 -0.501 . . . . 15.0 111.847 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . 0.412 ' HB3' ' CG ' ' A' ' 37' ' ' PRO . 19.5 m -126.21 -177.87 4.12 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.915 -0.402 . . . . 15.0 109.915 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 5.2 p -72.58 101.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.778 0.799 . . . . 15.0 109.954 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -109.3 28.89 8.06 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.448 -0.796 . . . . 15.0 110.618 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -64.65 -42.09 95.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.71 -0.677 . . . . 15.0 110.725 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.478 ' HB3' ' HB2' ' B' ' 109' ' ' ASP . 2.6 mm? -96.55 62.98 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.879 -0.6 . . . . 15.0 110.386 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -43.44 98.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.008 -0.542 . . . . 15.0 111.554 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.65 -50.15 73.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.247 -0.433 . . . . 15.0 111.444 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . 0.478 ' HB2' ' HB3' ' B' ' 106' ' ' LEU . 14.2 m-20 -60.55 -43.7 96.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.255 -0.43 . . . . 15.0 111.159 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.13 -48.49 81.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.98 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -62.73 -47.57 82.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 15.0 111.322 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 92.2 mt -58.96 -42.03 88.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.519 -0.31 . . . . 15.0 111.316 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -70.14 -44.9 67.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.208 -0.451 . . . . 15.0 110.19 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -60.17 -47.29 86.57 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.708 -0.678 . . . . 15.0 111.104 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 32.4 tp -62.63 -45.41 92.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 15.0 110.525 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -62.99 -46.68 86.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.867 -0.606 . . . . 15.0 111.109 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -60.98 -38.52 86.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.229 -0.442 . . . . 15.0 110.691 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -66.12 -39.86 90.23 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.013 -0.539 . . . . 15.0 111.084 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.62 -32.24 62.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.032 0.444 . . . . 15.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -81.17 -18.44 46.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.825 -0.625 . . . . 15.0 111.561 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -51.4 -27.43 10.04 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.093 -0.503 . . . . 15.0 112.245 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -58.76 -63.09 1.42 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.545 -0.298 . . . . 15.0 111.367 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -148.9 -29.87 0.27 Allowed 'General case' 0 C--O 1.233 0.229 0 N-CA-C 111.777 0.288 . . . . 15.0 111.777 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.1 -1.47 2.18 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.395 -0.366 . . . . 15.0 111.835 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 14.7 tp -60.32 -23.84 64.52 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.052 0.454 . . . . 15.0 110.291 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.581 ' HA ' ' HE2' ' B' ' 129' ' ' LYS . 32.9 mm-40 -65.4 -43.93 89.09 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.761 -0.654 . . . . 15.0 109.674 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 62.6 ttp85 -81.15 -26.44 36.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.882 -0.599 . . . . 15.0 110.149 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -54.19 -50.5 66.92 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.604 -0.726 . . . . 15.0 111.074 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.581 ' HE2' ' HA ' ' B' ' 126' ' ' GLU . 23.4 pttt -67.76 -37.28 81.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.625 -0.261 . . . . 15.0 111.476 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 1.7 m -67.22 -38.63 85.57 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.387 0.613 . . . . 15.0 110.296 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 131' ' ' GLU . . . . . 0.427 ' HG2' ' CD2' ' B' ' 135' ' ' HIS . 17.5 tt0 -65.53 -32.67 74.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.619 -0.718 . . . . 15.0 110.002 179.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -43.38 71.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.684 -0.689 . . . . 15.0 110.965 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 133' ' ' HIS . . . . . 0.417 ' O ' ' HE3' ' B' ' 137' ' ' LYS . 51.2 m80 -57.6 -52.75 64.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.061 -0.518 . . . . 15.0 112.235 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.57 -29.03 62.17 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.052 0.39 . . . . 15.0 112.052 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 135' ' ' HIS . . . . . 0.427 ' CD2' ' HG2' ' B' ' 131' ' ' GLU . 1.6 m-70 -77.62 -38.7 47.47 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.335 0.494 . . . . 15.0 112.335 -179.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -62.75 -44.49 96.06 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.879 0.326 . . . . 15.0 111.879 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 137' ' ' LYS . . . . . 0.417 ' HE3' ' O ' ' B' ' 133' ' ' HIS . 17.3 ptpt -61.84 -25.58 67.61 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.997 0.427 . . . . 15.0 110.669 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -85.59 -42.53 14.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.133 0.492 . . . . 15.0 109.702 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . 0.504 ' HB3' HH22 ' A' ' 76' ' ' ARG . 0.9 OUTLIER -58.68 -40.31 83.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.326 -0.852 . . . . 15.0 110.355 179.615 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.96 -33.36 74.16 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.947 -0.569 . . . . 15.0 111.307 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -72.6 -38.43 67.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.216 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -71.55 -47.74 53.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.829 -0.623 . . . . 15.0 110.41 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . 0.466 ' HE3' ' HG ' ' B' ' 106' ' ' LEU . 36.8 mmtm -61.0 -23.21 65.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.92 -0.582 . . . . 15.0 112.55 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -57.39 -54.2 49.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.979 0.419 . . . . 15.0 110.997 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -89.8 -28.23 19.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.155 -0.475 . . . . 15.0 111.387 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -63.71 -53.96 43.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.701 -0.227 . . . . 15.0 111.586 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -68.96 -26.26 64.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.021 0.439 . . . . 15.0 111.31 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -76.48 -39.28 53.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.234 -0.439 . . . . 15.0 110.543 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 5.3 tp -75.67 -56.62 4.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.064 -0.516 . . . . 15.0 110.39 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -87.83 110.89 20.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.787 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -84.69 -46.06 11.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.129 -0.487 . . . . 15.0 110.166 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.97 -0.538 . . . . 15.0 109.662 178.934 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.234 0 N-CA-C 110.089 -0.337 . . . . 15.0 110.089 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -141.92 115.66 9.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.681 0.277 . . . . 15.0 110.517 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -164.1 169.06 18.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.939 -0.573 . . . . 15.0 110.003 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.1 m -145.72 144.0 30.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.525 -0.307 . . . . 15.0 110.608 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.1 mmt -115.2 166.13 12.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.749 -0.205 . . . . 15.0 110.52 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -81.17 95.59 6.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.77 0.319 . . . . 15.0 111.171 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 47.56 -109.53 0.46 Allowed Glycine 0 CA--C 1.517 0.198 0 CA-C-N 115.456 -0.793 . . . . 15.0 114.07 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.7 m -71.63 -33.76 69.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.807 0.337 . . . . 15.0 111.24 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.19 61.38 4.28 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.549 -0.834 . . . . 15.0 112.024 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -63.76 -31.84 73.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.4 0.619 . . . . 15.0 110.336 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -96.02 28.39 3.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.285 -0.871 . . . . 15.0 111.029 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -67.16 109.18 2.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.951 0.405 . . . . 15.0 110.644 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -112.26 16.22 20.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.308 0.575 . . . . 15.0 110.141 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.47 145.66 48.92 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.655 -0.702 . . . . 15.0 111.762 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -83.53 105.76 14.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.001 0.429 . . . . 15.0 110.501 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.4 tt -155.88 133.42 2.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.769 -0.65 . . . . 15.0 109.899 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.99 35.82 4.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.209 0.528 . . . . 15.0 110.667 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -133.3 148.8 51.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.953 -0.567 . . . . 15.0 110.664 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.424 HG21 ' HB2' ' A' ' 78' ' ' GLU . 5.6 p -95.47 -175.87 3.6 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.855 -0.611 . . . . 15.0 110.421 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -64.89 -24.2 67.46 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.679 0.276 . . . . 15.0 111.309 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.01 3.34 51.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.971 0.415 . . . . 15.0 110.929 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.26 12.03 84.5 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.797 -0.716 . . . . 15.0 112.376 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.4 mt -73.03 153.74 40.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.854 0.359 . . . . 15.0 110.767 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.65 137.32 56.63 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.567 -0.742 . . . . 15.0 111.674 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.471 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 7.1 t -99.18 130.63 45.5 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.496 -0.774 . . . . 15.0 110.16 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -83.88 147.09 27.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.981 -0.554 . . . . 15.0 110.048 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.567 ' HB3' ' OG ' ' A' ' 34' ' ' SER . . . -72.28 148.88 45.0 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 120.904 0.383 . . . . 15.0 110.507 179.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -70.6 -19.96 62.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.162 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -103.51 12.01 35.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.897 -0.592 . . . . 15.0 111.514 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.567 ' OG ' ' HB3' ' A' ' 31' ' ' ALA . 57.7 m -75.08 142.84 43.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.745 0.307 . . . . 15.0 110.595 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -101.37 19.0 18.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.953 0.406 . . . . 15.0 110.962 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.61 144.27 97.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 N-CA-C 106.655 -1.609 . . . . 15.0 106.655 177.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -70.9 102.6 1.23 Allowed 'Trans proline' 0 N--CA 1.456 -0.684 0 CA-C-N 120.397 1.177 . . . . 15.0 112.663 -177.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -119.69 163.17 17.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.088 -1.415 . . . . 15.0 108.373 176.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.81 111.86 24.75 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.308 -0.997 . . . . 15.0 108.308 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -172.48 -176.46 1.55 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.049 0.452 . . . . 15.0 111.168 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -146.79 33.32 1.4 Allowed Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.577 -0.738 . . . . 15.0 111.513 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -113.03 105.13 13.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.067 0.46 . . . . 15.0 111.584 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.9 mm -106.11 134.75 19.62 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.067 -0.716 . . . . 15.0 109.067 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -51.42 -31.58 39.15 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.043 2.496 . . . . 15.0 113.741 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -75.44 -8.83 57.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.949 0.404 . . . . 15.0 111.621 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -92.95 -22.37 19.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 15.0 110.28 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -134.0 64.55 66.81 Favored Pre-proline 0 C--O 1.235 0.333 0 CA-C-N 116.125 -0.489 . . . . 15.0 110.666 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.44 -10.89 18.98 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.207 1.938 . . . . 15.0 112.223 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -85.19 -20.36 30.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 15.0 111.024 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -92.45 3.19 55.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.064 0.459 . . . . 15.0 110.632 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.6 t30 54.7 60.8 3.29 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 114.987 -1.006 . . . . 15.0 112.11 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.59 109.23 19.5 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.877 -0.786 . . . . 15.0 108.877 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -146.25 144.83 30.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.447 -0.342 . . . . 15.0 110.417 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt 55.08 -146.39 0.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.789 0.681 . . . . 15.0 112.198 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.522 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 29.9 p-10 -113.18 38.15 2.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.034 0.445 . . . . 15.0 111.722 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -90.94 141.68 28.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.242 -0.435 . . . . 15.0 110.354 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 10.6 t -59.14 129.63 43.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.319 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 58' ' ' ARG . 3.1 mmp_? -136.57 169.86 17.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.146 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -142.58 85.22 10.48 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.263 0.554 . . . . 15.0 110.083 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -87.04 -3.89 7.95 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 122.439 2.092 . . . . 15.0 112.377 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.572 ' OD1' ' HB3' ' A' ' 63' ' ' ASP . 24.7 t70 -91.48 -24.81 19.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.251 -0.432 . . . . 15.0 110.779 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.0 mtm105 73.77 25.04 2.04 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.675 -0.693 . . . . 15.0 109.824 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.572 ' HB3' ' OD1' ' A' ' 61' ' ' ASP . 2.3 p-10 -75.65 -171.92 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.749 -0.66 . . . . 15.0 112.149 -179.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.6 mp -56.84 -36.31 69.86 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.403 1.26 . . . . 15.0 114.403 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.429 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 17.4 ptt180 -157.13 148.53 16.91 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 118.648 0.658 . . . . 15.0 112.244 -178.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 65' ' ' ARG . 31.1 Cg_exo -58.67 148.55 81.81 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.966 2.444 . . . . 15.0 112.608 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 18.1 p-90 -144.17 176.53 9.25 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.433 -0.803 . . . . 15.0 110.05 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.471 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -159.77 155.86 26.61 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.208 -0.451 . . . . 15.0 110.191 179.364 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -77.81 135.26 37.93 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.307 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.81 149.45 21.83 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.22 -16.56 45.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.238 -0.437 . . . . 15.0 111.235 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.442 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -64.35 126.93 91.5 Favored Pre-proline 0 C--N 1.332 -0.161 0 CA-C-N 116.024 -0.535 . . . . 15.0 110.694 -179.559 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 35.1 Cg_exo -59.77 -11.64 15.42 Favored 'Trans proline' 0 CA--C 1.535 0.561 0 C-N-CA 123.191 2.594 . . . . 15.0 114.921 -178.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -102.25 -5.07 24.73 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.138 0.421 . . . . 15.0 112.138 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -133.09 132.49 41.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.137 0.494 . . . . 15.0 111.33 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 76' ' ' ARG . 0.9 OUTLIER -84.19 -58.81 2.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.214 0.53 . . . . 15.0 110.083 179.752 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 24.1 p-90 -148.67 145.11 27.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.741 -0.663 . . . . 15.0 109.768 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.424 ' HB2' HG21 ' A' ' 23' ' ' THR . 15.9 mm-40 -128.07 148.46 50.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.316 -0.402 . . . . 15.0 110.247 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -79.12 159.49 27.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.05 -0.523 . . . . 15.0 110.744 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.1 t -121.67 133.42 54.96 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.217 -0.66 . . . . 15.0 109.217 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -96.0 113.86 25.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.825 0.345 . . . . 15.0 110.526 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.0 mt -119.85 129.75 25.19 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.907 -0.588 . . . . 15.0 109.736 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -49.43 123.39 10.23 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.113 2.542 . . . . 15.0 112.809 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -104.98 167.35 9.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.822 -0.626 . . . . 15.0 110.624 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 10.4 m -82.71 157.72 23.19 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.733 -0.469 . . . . 15.0 109.733 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.5 -41.96 68.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.873 0.368 . . . . 15.0 110.361 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.423 -0.799 . . . . 15.0 110.411 179.65 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.828 -0.509 . . . . 15.0 111.828 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.0 t -144.46 -150.66 0.33 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.481 -0.563 . . . . 15.0 109.481 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 4.2 p -74.03 76.92 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 122.414 1.102 . . . . 15.0 110.109 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.28 -8.28 48.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.153 -0.93 . . . . 15.0 111.2 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -60.5 -38.59 84.82 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.164 0.507 . . . . 15.0 110.257 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -85.5 73.5 10.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.688 -0.687 . . . . 15.0 109.269 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.61 -65.72 0.96 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.075 -0.511 . . . . 15.0 111.838 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.61 -49.43 77.53 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.605 0.594 . . . . 15.0 112.605 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -61.68 -45.94 91.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.505 -0.316 . . . . 15.0 111.624 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.37 90.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.577 -0.283 . . . . 15.0 110.98 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -62.0 -53.53 54.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.042 -0.527 . . . . 15.0 110.523 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.66 -43.09 99.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.09 -0.505 . . . . 15.0 111.067 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -63.17 -46.31 87.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 15.0 111.078 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -66.23 -44.51 83.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.502 -0.317 . . . . 15.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 16.9 tp -55.85 -51.22 68.27 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.74 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -65.44 -41.34 93.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.898 -0.592 . . . . 15.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -61.77 -45.66 92.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.453 -0.339 . . . . 15.0 110.812 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -58.89 -38.05 77.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.969 0.414 . . . . 15.0 111.481 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.84 -41.04 53.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.987 0.422 . . . . 15.0 110.577 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.33 -24.95 63.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.913 -0.585 . . . . 15.0 111.843 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -56.46 -17.49 8.36 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.111 0.411 . . . . 15.0 112.111 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -60.84 -65.76 0.64 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 120.711 0.291 . . . . 15.0 110.418 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -145.1 -18.53 0.5 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.708 0.289 . . . . 15.0 111.776 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -84.0 11.95 7.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.699 -0.228 . . . . 15.0 111.116 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 23.9 tp -59.84 -32.8 71.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.877 0.37 . . . . 15.0 111.126 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -65.37 -40.05 93.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 15.0 110.462 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 -82.15 -28.55 32.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.268 -0.424 . . . . 15.0 110.445 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -58.87 -50.38 74.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.911 -0.586 . . . . 15.0 110.718 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' B' ' 130' ' ' SER . 1.0 OUTLIER -62.31 -33.8 75.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 15.0 110.974 -179.057 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' SER . . . . . 0.44 ' N ' ' HG2' ' B' ' 129' ' ' LYS . 52.2 m -77.22 -34.57 56.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.931 0.396 . . . . 15.0 110.592 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -46.87 82.26 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.288 -0.634 . . . . 15.0 109.288 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -64.02 -32.81 74.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.426 -0.806 . . . . 15.0 110.364 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.55 -43.3 93.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.062 -0.517 . . . . 15.0 110.702 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 134' ' ' ASP . . . . . 0.54 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 30.3 t70 -82.29 -27.06 32.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.097 0.475 . . . . 15.0 111.294 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -74.66 -41.99 59.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.091 -0.504 . . . . 15.0 111.311 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . 0.423 ' HA ' ' HB2' ' B' ' 139' ' ' GLU . 0.4 OUTLIER -64.41 -36.08 82.98 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.145 0.424 . . . . 15.0 112.145 -178.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 137' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 7.3 ptpt -65.53 -28.08 68.92 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.109 0.481 . . . . 15.0 110.502 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -85.75 -38.79 17.87 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 108.942 -0.762 . . . . 15.0 108.942 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . 0.423 ' HB2' ' HA ' ' B' ' 136' ' ' ASP . 0.3 OUTLIER -56.95 -33.28 66.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.622 -1.172 . . . . 15.0 110.801 179.294 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.17 -50.41 67.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 15.0 111.411 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.07 -40.86 67.98 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.331 -0.395 . . . . 15.0 110.648 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -59.52 -46.41 88.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.963 0.411 . . . . 15.0 110.368 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -66.05 -30.52 71.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.013 -0.54 . . . . 15.0 111.014 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' B' ' 148' ' ' LYS . . . -58.33 -38.92 78.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.57 -0.287 . . . . 15.0 111.043 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' B' ' 145' ' ' LEU . 2.3 mm? -90.86 -43.68 9.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.888 0.375 . . . . 15.0 111.161 179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -61.21 -55.07 36.38 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.47 0.544 . . . . 15.0 112.47 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.1 -22.0 65.83 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.97 0.414 . . . . 15.0 111.572 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' B' ' 144' ' ' ALA . 76.7 tttt -79.7 -36.73 37.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.219 -0.446 . . . . 15.0 110.961 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 50.1 tp -81.32 -49.2 11.0 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.221 -0.445 . . . . 15.0 110.749 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -85.77 113.9 22.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.129 -0.487 . . . . 15.0 110.023 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -90.17 -9.8 46.84 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.155 -0.475 . . . . 15.0 110.525 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.815 -0.612 . . . . 15.0 109.94 179.246 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 m . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 109.833 -0.432 . . . . 15.0 109.833 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -137.11 122.37 19.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.406 -0.361 . . . . 15.0 110.441 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -160.43 157.96 28.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.322 -0.399 . . . . 15.0 110.83 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.3 m -134.99 154.33 51.77 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.102 -0.499 . . . . 15.0 109.794 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 19.6 mmt -114.56 163.11 15.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.654 0.264 . . . . 15.0 110.71 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -85.18 96.96 9.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.099 -0.501 . . . . 15.0 111.58 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.64 -108.74 0.5 Allowed Glycine 0 C--N 1.331 0.286 0 CA-C-N 115.401 -0.818 . . . . 15.0 114.293 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.7 t -72.3 -45.12 61.38 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 122.459 0.304 . . . . 15.0 111.215 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.6 50.17 4.09 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.326 -0.94 . . . . 15.0 111.744 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -66.03 -36.8 84.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.356 0.598 . . . . 15.0 110.052 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -95.82 28.09 3.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.332 -0.849 . . . . 15.0 111.241 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -70.59 108.05 4.17 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.997 0.427 . . . . 15.0 110.197 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -107.66 31.97 5.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.498 0.666 . . . . 15.0 109.297 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.13 160.9 46.74 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.454 -0.794 . . . . 15.0 112.351 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -92.67 111.06 22.52 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.889 0.375 . . . . 15.0 110.467 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 57' ' ' CYS . 14.1 tt -162.05 132.71 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.043 -0.526 . . . . 15.0 109.844 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.96 22.74 4.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.249 -0.432 . . . . 15.0 110.991 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -132.05 135.04 46.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.331 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.41 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 21.8 p -76.95 -175.33 3.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.3 -0.409 . . . . 15.0 111.13 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -62.13 -29.14 70.13 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.724 0.297 . . . . 15.0 111.26 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.36 1.87 53.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.821 0.343 . . . . 15.0 111.014 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.01 15.14 81.53 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.834 -0.698 . . . . 15.0 112.911 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 42.3 mt -78.17 149.79 33.68 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.019 -0.363 . . . . 15.0 110.019 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -74.82 130.9 40.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.159 0.504 . . . . 15.0 111.451 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.697 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 17.3 t -82.92 140.36 32.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.681 -0.691 . . . . 15.0 111.024 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -85.6 145.17 27.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.639 -0.71 . . . . 15.0 109.281 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.744 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -69.54 137.67 52.64 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.097 -0.334 . . . . 15.0 110.097 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -63.27 -23.02 67.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.049 0.452 . . . . 15.0 110.663 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -102.02 6.96 41.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.065 -0.516 . . . . 15.0 111.472 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.744 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 23.8 t -86.19 138.93 31.51 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.9 -0.407 . . . . 15.0 109.9 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -94.0 36.89 1.1 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.023 0.439 . . . . 15.0 111.785 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.1 140.24 95.71 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 105.387 -2.079 . . . . 15.0 105.387 176.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -73.9 99.16 1.13 Allowed 'Trans proline' 0 N--CA 1.452 -0.946 0 CA-C-N 120.732 1.297 . . . . 15.0 113.511 -176.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.35 164.24 18.31 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 113.304 -1.771 . . . . 15.0 108.144 175.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.27 110.93 23.02 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.883 -1.154 . . . . 15.0 107.883 176.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -172.32 -176.29 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.724 0.297 . . . . 15.0 111.118 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -147.6 31.02 1.39 Allowed Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.467 -0.653 . . . . 15.0 111.467 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -94.31 114.52 26.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.937 0.398 . . . . 15.0 110.849 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.451 HG22 ' H ' ' A' ' 45' ' ' SER . 49.5 mm -116.19 131.76 23.62 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.06 -0.718 . . . . 15.0 109.06 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -52.09 -37.55 68.99 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.735 2.29 . . . . 15.0 112.832 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.451 ' H ' HG22 ' A' ' 43' ' ' ILE . 23.5 m -72.51 -14.48 61.66 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.349 -0.387 . . . . 15.0 111.458 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.432 ' HD3' ' HB ' ' A' ' 43' ' ' ILE . 50.5 mtpt -86.21 -23.15 26.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 15.0 110.683 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -132.16 61.54 58.27 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 116.241 -0.436 . . . . 15.0 111.13 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.32 -13.59 20.72 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.129 1.886 . . . . 15.0 111.665 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -82.08 -11.16 58.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.494 -0.775 . . . . 15.0 111.023 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -108.3 9.23 27.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.231 0.539 . . . . 15.0 110.351 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.8 t30 50.9 59.53 4.54 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 114.946 -1.025 . . . . 15.0 112.532 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.6 mp -81.34 111.01 17.32 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.148 -0.686 . . . . 15.0 109.148 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -141.55 133.78 27.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.841 0.353 . . . . 15.0 111.465 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 51.99 -134.19 1.68 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.293 -0.867 . . . . 15.0 111.827 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -115.32 40.92 2.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.426 0.631 . . . . 15.0 110.873 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -91.85 136.93 32.78 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.835 -0.621 . . . . 15.0 110.353 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.443 ' HB3' HG23 ' A' ' 20' ' ' ILE . 45.0 t -63.15 132.42 51.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.921 -0.581 . . . . 15.0 111.048 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -139.72 163.97 31.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.509 -0.769 . . . . 15.0 109.93 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -124.68 82.55 59.63 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 108.441 -0.948 . . . . 15.0 108.441 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.47 -10.75 14.59 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.48 2.12 . . . . 15.0 113.883 -177.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.487 ' OD2' ' HB3' ' B' ' 129' ' ' LYS . 8.0 t70 -110.18 0.97 18.44 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.087 -0.645 . . . . 15.0 112.365 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 56.57 37.51 28.88 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.147 -0.479 . . . . 15.0 111.109 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -80.9 -170.09 2.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.301 -0.409 . . . . 15.0 111.014 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 89.0 mt -50.61 -42.44 56.01 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.537 0.94 . . . . 15.0 113.537 -178.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.452 ' HD3' ' O ' ' A' ' 80' ' ' CYS . 12.0 ptp180 -157.89 148.92 16.41 Favored Pre-proline 0 C--N 1.33 -0.244 0 C-N-CA 120.629 -0.428 . . . . 15.0 111.885 -178.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.431 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 13.9 Cg_endo -57.77 146.06 87.39 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.819 2.346 . . . . 15.0 112.574 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 21.7 p-90 -146.04 -176.04 4.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.472 -0.786 . . . . 15.0 109.618 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.697 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 1.1 p -166.93 155.02 9.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.509 -0.314 . . . . 15.0 110.657 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -73.26 143.63 46.98 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.803 -0.443 . . . . 15.0 109.803 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.93 176.87 6.09 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.489 -0.323 . . . . 15.0 111.598 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.24 5.17 19.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.595 0.712 . . . . 15.0 109.735 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.411 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 1.6 m-20 -84.71 130.25 53.81 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 114.844 -1.071 . . . . 15.0 110.341 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 18.9 Cg_exo -65.22 -13.43 39.72 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.432 2.088 . . . . 15.0 112.734 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -108.37 1.55 21.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.407 -0.361 . . . . 15.0 111.681 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -132.31 114.9 14.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.683 0.278 . . . . 15.0 110.751 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -68.67 -63.73 1.0 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.331 0.586 . . . . 15.0 110.098 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 45.1 p-90 -156.24 146.15 21.19 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.641 -0.709 . . . . 15.0 109.443 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -127.1 159.88 32.86 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.866 0.365 . . . . 15.0 110.641 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -82.67 162.33 21.86 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.723 -0.671 . . . . 15.0 110.656 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.452 ' O ' ' HD3' ' A' ' 65' ' ' ARG . 79.5 m -117.79 149.38 40.89 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.824 -0.806 . . . . 15.0 108.824 178.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -110.89 110.5 21.12 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.986 0.422 . . . . 15.0 111.488 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.2 mt -127.11 130.74 23.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.096 -0.502 . . . . 15.0 109.97 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.14 126.04 19.16 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 122.857 2.372 . . . . 15.0 113.001 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.06 161.61 14.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.095 -0.502 . . . . 15.0 110.017 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 59.7 m -66.13 158.43 28.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.613 -0.267 . . . . 15.0 110.582 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.11 86.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.448 -0.342 . . . . 15.0 111.24 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.595 -0.717 . . . . 15.0 110.642 179.659 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 111.744 -0.543 . . . . 15.0 111.744 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 22.4 m -85.44 -176.25 6.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.609 0.242 . . . . 15.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 3.3 p -67.26 102.46 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-O 121.743 0.783 . . . . 15.0 111.274 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -121.19 23.64 10.43 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.503 -0.772 . . . . 15.0 109.814 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -59.25 -55.8 30.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.375 -0.83 . . . . 15.0 110.446 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' B' ' 106' ' ' LEU . 2.1 mm? -100.76 64.7 1.1 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.801 -0.636 . . . . 15.0 109.355 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -37.91 89.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.461 -0.79 . . . . 15.0 111.714 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.69 -39.12 93.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.108 0.48 . . . . 15.0 110.765 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.62 -36.74 84.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.724 -0.671 . . . . 15.0 110.606 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.42 -42.02 59.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.752 -0.658 . . . . 15.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.56 -51.03 71.6 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.017 -0.538 . . . . 15.0 111.059 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 86.4 mt -55.09 -49.15 72.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 15.0 111.363 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -68.53 -34.59 76.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.148 -0.478 . . . . 15.0 111.816 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -64.61 -49.84 69.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.692 0.282 . . . . 15.0 110.273 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 21.1 tp -62.48 -44.47 96.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 15.0 110.502 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -60.44 -46.29 90.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.776 -0.647 . . . . 15.0 110.707 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -63.34 -43.58 97.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.438 -0.801 . . . . 15.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -56.48 -48.15 77.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.229 -0.441 . . . . 15.0 111.345 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.58 -36.48 82.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.028 -0.533 . . . . 15.0 111.346 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.65 -30.68 63.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.226 -0.443 . . . . 15.0 111.98 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -54.26 -20.34 6.88 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.801 0.667 . . . . 15.0 112.801 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -69.69 -42.19 74.42 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.173 -0.211 . . . . 15.0 111.28 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . 0.408 ' C ' ' H ' ' B' ' 125' ' ' LEU . . . -156.79 -43.54 0.07 Allowed 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.055 0.391 . . . . 15.0 112.055 -178.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -72.97 20.46 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.374 0.509 . . . . 15.0 112.374 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.408 ' H ' ' C ' ' B' ' 123' ' ' ALA . 30.5 tp -65.65 -31.96 73.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.851 0.358 . . . . 15.0 110.803 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -68.56 -44.34 74.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.238 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 55.2 ttp85 -71.4 -34.78 70.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.265 -0.425 . . . . 15.0 110.292 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.38 -40.32 82.03 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.45 0.643 . . . . 15.0 109.434 178.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.487 ' HB3' ' OD2' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -60.49 -48.6 81.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.192 -0.913 . . . . 15.0 110.456 179.236 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m -67.74 -34.04 76.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.791 -0.64 . . . . 15.0 111.224 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.63 -44.66 81.41 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.791 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 132' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' B' ' 136' ' ' ASP . 0.0 OUTLIER -57.54 -37.67 73.46 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 110.007 -0.368 . . . . 15.0 110.007 179.38 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 133' ' ' HIS . . . . . 0.404 ' O ' ' HE3' ' B' ' 137' ' ' LYS . 0.6 OUTLIER -55.42 -45.97 76.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.571 -0.74 . . . . 15.0 110.891 179.494 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -85.13 -27.07 26.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.043 -0.526 . . . . 15.0 111.977 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -77.14 -43.79 32.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.519 -0.309 . . . . 15.0 111.756 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' B' ' 132' ' ' ARG . 0.3 OUTLIER -63.8 -40.65 97.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.501 -0.318 . . . . 15.0 111.303 -178.783 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 137' ' ' LYS . . . . . 0.404 ' HE3' ' O ' ' B' ' 133' ' ' HIS . 8.7 ptpt -64.79 -24.26 67.5 Favored 'General case' 0 C--O 1.227 -0.124 0 CA-C-O 120.949 0.404 . . . . 15.0 110.233 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -83.56 -35.18 24.94 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.121 -0.696 . . . . 15.0 109.121 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -66.66 -28.94 68.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.097 -0.956 . . . . 15.0 110.989 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -52.11 -43.57 64.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.144 -0.48 . . . . 15.0 111.819 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.07 -43.76 33.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 15.0 111.204 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 52.2 ttp85 -62.91 -46.81 86.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.428 -0.351 . . . . 15.0 111.498 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -62.77 -31.19 72.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.584 -0.28 . . . . 15.0 111.681 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -56.74 -43.9 81.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.415 -0.357 . . . . 15.0 111.641 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -89.72 -34.21 16.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.779 0.323 . . . . 15.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.06 -52.09 66.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.01 -0.541 . . . . 15.0 111.581 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -69.92 -24.54 63.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.3 -0.409 . . . . 15.0 111.183 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -73.29 -40.31 64.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.149 -0.478 . . . . 15.0 110.624 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 20.8 tp -78.34 -56.18 4.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.355 -0.384 . . . . 15.0 110.771 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -74.58 116.35 15.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.13 -0.322 . . . . 15.0 110.13 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -96.82 -12.01 24.15 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.033 -0.267 . . . . 15.0 111.086 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.706 -0.664 . . . . 15.0 110.026 179.553 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 120.719 0.295 . . . . 15.0 110.322 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.8 m -121.55 169.6 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.739 -0.467 . . . . 15.0 109.739 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -91.12 -38.74 12.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.879 0.371 . . . . 15.0 110.966 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -103.77 94.95 5.71 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.96 -0.296 . . . . 15.0 110.355 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.24 147.46 22.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.257 -0.429 . . . . 15.0 110.453 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -133.59 101.53 5.16 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.368 -0.378 . . . . 15.0 110.971 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -153.34 173.35 15.72 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.905 -0.405 . . . . 15.0 109.905 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.2 m -144.31 155.76 43.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.365 -0.379 . . . . 15.0 110.547 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 19.8 mmt -114.78 161.7 17.84 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.837 0.351 . . . . 15.0 111.083 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -88.14 97.8 11.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.881 -0.599 . . . . 15.0 111.376 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.32 -116.89 3.87 Favored Glycine 0 C--N 1.331 0.299 0 CA-C-N 115.58 -0.736 . . . . 15.0 113.871 178.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.527 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -66.4 -40.56 89.71 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.998 0.428 . . . . 15.0 111.011 -179.515 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.53 53.57 4.31 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.685 -0.769 . . . . 15.0 112.594 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -76.87 -18.59 58.24 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.312 -0.625 . . . . 15.0 109.312 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -101.02 22.23 12.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.123 -0.944 . . . . 15.0 109.994 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -70.75 118.82 14.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.81 -0.632 . . . . 15.0 111.088 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -117.89 10.62 13.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.939 -0.573 . . . . 15.0 109.789 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.53 149.83 42.61 Favored Glycine 0 C--O 1.237 0.309 0 CA-C-N 115.686 -0.688 . . . . 15.0 113.034 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -90.45 113.3 25.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.265 0.555 . . . . 15.0 111.556 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.415 HG12 ' H ' ' A' ' 22' ' ' LYS . 17.2 tt -163.9 131.63 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.407 -0.815 . . . . 15.0 109.311 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.4 p -122.87 31.29 6.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.909 0.385 . . . . 15.0 111.247 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.415 ' H ' HG12 ' A' ' 20' ' ' ILE . 46.7 mtmt -133.6 147.16 51.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.263 -0.426 . . . . 15.0 110.857 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.6 p -83.65 -177.94 6.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.994 -0.548 . . . . 15.0 110.502 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -73.84 -13.61 60.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.245 0.545 . . . . 15.0 109.899 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.71 3.88 47.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.588 -0.733 . . . . 15.0 110.637 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.8 23.92 71.09 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.662 -0.699 . . . . 15.0 112.775 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.8 mt -90.02 150.39 22.13 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.133 -0.321 . . . . 15.0 110.133 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -76.48 134.18 39.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.585 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.687 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 33.0 t -86.7 142.16 28.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.22 0.533 . . . . 15.0 111.243 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -86.76 146.43 26.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.505 -0.771 . . . . 15.0 109.657 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.705 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -68.87 139.31 55.16 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.004 -0.369 . . . . 15.0 110.004 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -65.19 -29.68 70.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.418 -0.356 . . . . 15.0 111.395 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -99.71 13.88 32.09 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.549 -0.296 . . . . 15.0 111.383 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.705 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -81.0 178.78 8.21 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.901 -0.407 . . . . 15.0 109.901 179.108 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -141.9 38.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.451 -0.5 . . . . 15.0 112.199 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.55 158.81 81.28 Favored Pre-proline 0 C--O 1.236 0.374 0 N-CA-C 105.485 -2.043 . . . . 15.0 105.485 175.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -72.96 96.39 0.86 Allowed 'Trans proline' 0 N--CA 1.455 -0.774 0 CA-C-N 122.026 1.759 . . . . 15.0 112.255 -177.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.28 162.44 24.71 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 113.676 -1.602 . . . . 15.0 110.185 177.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.69 112.16 25.02 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.182 -1.414 . . . . 15.0 107.182 174.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 -170.11 165.69 9.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.187 0.518 . . . . 15.0 111.91 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -137.29 21.6 3.27 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 110.867 -0.893 . . . . 15.0 110.867 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -88.53 78.31 7.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.467 -0.367 . . . . 15.0 110.957 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.9 mm -84.46 127.96 63.66 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.827 -0.435 . . . . 15.0 109.827 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.17 -33.03 52.51 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.963 2.442 . . . . 15.0 113.146 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.03 -20.09 64.96 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.416 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -83.36 -23.02 32.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 15.0 110.568 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -133.22 63.86 67.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 15.0 110.81 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.79 -14.97 26.93 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 121.861 1.707 . . . . 15.0 111.363 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -75.38 -21.91 57.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.313 -0.858 . . . . 15.0 111.233 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -96.65 6.17 49.24 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.947 -0.301 . . . . 15.0 111.535 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.6 t30 51.56 61.92 2.98 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.842 0.682 . . . . 15.0 112.842 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.6 mp -84.79 109.82 18.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.521 -0.918 . . . . 15.0 108.521 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -141.33 146.67 36.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.56 0.219 . . . . 15.0 110.947 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt 53.54 -134.74 1.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.951 0.782 . . . . 15.0 111.371 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -124.87 39.55 3.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.363 0.602 . . . . 15.0 110.333 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -91.68 141.73 28.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.014 -0.539 . . . . 15.0 110.382 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.5 t -59.52 131.02 49.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 15.0 111.085 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -138.75 168.22 20.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.896 -0.593 . . . . 15.0 109.794 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -138.69 88.35 14.14 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-O 120.895 0.379 . . . . 15.0 110.378 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -85.05 -5.52 9.58 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.497 2.131 . . . . 15.0 112.792 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' B' ' 129' ' ' LYS . 33.3 t70 -96.98 -24.13 15.96 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.157 -0.217 . . . . 15.0 111.397 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.4 mtm180 70.57 34.25 2.19 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.411 0.624 . . . . 15.0 109.93 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -80.91 -167.99 1.62 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.197 -0.91 . . . . 15.0 110.893 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.1 mt -47.68 -48.46 29.13 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.215 0.821 . . . . 15.0 113.215 -178.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -158.89 153.55 20.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 C-N-CA 120.687 -0.405 . . . . 15.0 111.29 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.527 ' HD3' ' O ' ' A' ' 12' ' ' SER . 51.9 Cg_exo -54.45 146.22 53.37 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.074 2.516 . . . . 15.0 113.563 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 -138.39 177.81 7.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.106 -0.952 . . . . 15.0 109.402 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.687 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 4.7 p -163.25 154.91 17.45 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.477 -0.329 . . . . 15.0 110.771 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -78.71 145.54 34.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.211 -0.45 . . . . 15.0 109.952 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 p -100.42 154.68 18.32 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.878 0.37 . . . . 15.0 111.621 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.49 8.15 29.46 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.196 0.522 . . . . 15.0 110.792 178.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -103.94 122.95 42.66 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.035 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -60.46 -16.64 43.16 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.987 2.458 . . . . 15.0 113.603 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.38 -17.89 59.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.564 0.221 . . . . 15.0 110.752 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -130.5 152.82 49.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.878 0.371 . . . . 15.0 110.899 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -99.02 -63.36 1.13 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.228 0.537 . . . . 15.0 110.042 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 32.4 p-90 -147.39 144.09 28.44 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.57 -0.741 . . . . 15.0 109.169 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -130.8 155.02 47.39 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.772 0.32 . . . . 15.0 110.363 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -82.95 161.88 21.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.828 -0.624 . . . . 15.0 110.946 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 5.9 t -117.32 139.46 50.81 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.955 -0.758 . . . . 15.0 108.955 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -100.91 110.94 23.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.245 -0.434 . . . . 15.0 111.125 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.98 135.32 26.62 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.883 -0.598 . . . . 15.0 110.017 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -58.88 123.4 13.43 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.648 2.232 . . . . 15.0 112.145 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -104.83 156.05 18.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.414 -0.357 . . . . 15.0 110.61 -179.59 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 66.7 m -67.62 151.07 47.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.216 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.54 -49.13 70.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.133 0.492 . . . . 15.0 109.803 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.693 -0.67 . . . . 15.0 109.724 179.196 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.849 0 N-CA-C 112.007 -0.437 . . . . 15.0 112.007 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 2.9 t -136.58 -167.58 2.09 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.698 -0.482 . . . . 15.0 109.698 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 3.8 p -82.72 91.35 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.928 0.871 . . . . 15.0 109.887 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.33 22.32 14.35 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.558 -0.746 . . . . 15.0 110.594 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -63.35 -40.15 96.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.794 -0.639 . . . . 15.0 111.261 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.411 ' HG ' ' HE3' ' B' ' 143' ' ' LYS . 2.2 mm? -102.54 49.64 0.84 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.078 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -46.07 85.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.698 -0.683 . . . . 15.0 112.378 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.64 -45.76 74.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 15.0 111.42 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.7 -48.41 80.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.935 -0.575 . . . . 15.0 111.029 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.38 98.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.932 -0.576 . . . . 15.0 111.18 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -61.23 -45.73 93.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.472 -0.331 . . . . 15.0 110.975 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 44.6 mt -60.13 -47.88 84.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.616 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -65.58 -38.7 90.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.941 -0.572 . . . . 15.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -65.32 -47.9 74.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.46 -0.336 . . . . 15.0 110.955 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 43.8 tp -57.91 -39.59 78.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 15.0 110.191 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -68.75 -43.99 74.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.811 -0.631 . . . . 15.0 110.178 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' ASN . . . . . 0.471 ' O ' ' HB2' ' B' ' 121' ' ' GLU . 1.8 t30 -62.18 -43.53 98.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.851 -0.613 . . . . 15.0 110.741 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.48 -42.96 98.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.985 0.421 . . . . 15.0 111.204 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.2 -44.12 76.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.386 -0.37 . . . . 15.0 111.18 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.37 -19.75 57.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.197 -0.456 . . . . 15.0 112.206 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' B' ' 117' ' ' ASN . 19.6 tt0 -57.43 -20.93 33.35 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.244 0.461 . . . . 15.0 112.244 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -58.42 -67.54 0.34 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.164 -0.471 . . . . 15.0 111.423 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -136.53 -26.86 1.08 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.99 0.424 . . . . 15.0 111.395 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -81.6 22.94 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.129 -0.487 . . . . 15.0 111.451 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 25.6 tp -64.51 -31.83 73.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.986 0.422 . . . . 15.0 110.425 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -66.12 -41.4 90.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.902 -0.59 . . . . 15.0 109.61 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 37.2 ttp85 -72.12 -41.23 67.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.645 -0.707 . . . . 15.0 110.231 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -57.61 -48.86 78.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.601 -0.727 . . . . 15.0 111.099 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.434 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -61.65 -32.28 72.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.963 -0.562 . . . . 15.0 111.051 -178.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 29.4 m -79.91 -41.04 26.92 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.853 0.359 . . . . 15.0 110.866 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -61.52 -49.31 77.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 15.0 110.477 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 5.0 tmt_? -57.48 -36.32 71.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.462 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -61.29 -41.37 96.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.949 -0.569 . . . . 15.0 111.195 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . 0.557 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 18.4 t70 -83.81 -23.28 31.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.831 0.348 . . . . 15.0 111.558 -179.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -82.94 -36.61 25.07 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 111.974 0.361 . . . . 15.0 111.974 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.76 -29.59 70.11 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.75 0.278 . . . . 15.0 111.75 -178.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 12.7 ptpt -69.37 -25.15 64.03 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.359 -0.608 . . . . 15.0 109.359 178.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -83.96 -28.04 28.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.285 -0.87 . . . . 15.0 108.725 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -61.97 -33.81 74.99 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.4 -0.818 . . . . 15.0 110.299 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.04 -26.43 68.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 15.0 110.439 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -83.05 -41.39 18.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.876 -0.602 . . . . 15.0 110.215 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' B' ' 146' ' ' GLU . 40.7 ttp85 -75.31 -55.07 6.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.765 -0.652 . . . . 15.0 111.582 -179.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . 0.411 ' HE3' ' HG ' ' B' ' 106' ' ' LEU . 43.4 mmtm -61.0 -21.39 63.52 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.129 0.418 . . . . 15.0 112.129 -178.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -57.47 -51.95 67.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.932 0.396 . . . . 15.0 110.418 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -90.02 -32.57 16.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.127 -0.488 . . . . 15.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 146' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' B' ' 142' ' ' ARG . 7.5 tt0 -61.03 -55.13 36.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.002 -0.544 . . . . 15.0 111.903 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.73 -27.47 67.64 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.813 0.34 . . . . 15.0 111.188 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -73.89 -41.1 62.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.922 -0.581 . . . . 15.0 110.576 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 15.9 tp -75.4 -45.69 37.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.136 -0.483 . . . . 15.0 110.728 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -76.32 107.66 8.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.973 -0.558 . . . . 15.0 111.096 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -76.1 -36.27 58.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.895 0.378 . . . . 15.0 110.171 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.892 -0.575 . . . . 15.0 109.812 179.639 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 109.857 -0.423 . . . . 15.0 109.857 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.0 m -129.32 157.27 42.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.104 -0.702 . . . . 15.0 109.104 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -76.79 -15.72 59.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.656 0.265 . . . . 15.0 111.172 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -68.06 106.84 2.5 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.755 -0.461 . . . . 15.0 109.755 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -123.83 118.78 27.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.138 -0.483 . . . . 15.0 111.143 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -127.91 106.52 9.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.204 -0.453 . . . . 15.0 109.998 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -150.7 161.09 43.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.825 0.345 . . . . 15.0 111.053 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.3 m -147.24 138.24 23.74 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.391 -0.596 . . . . 15.0 109.391 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 17.1 mmt -113.8 165.27 12.73 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 122.331 -0.23 . . . . 15.0 110.838 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -85.74 97.45 10.16 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.498 0.555 . . . . 15.0 112.498 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.05 -113.4 1.63 Allowed Glycine 0 C--O 1.23 -0.137 0 CA-C-N 115.036 -0.984 . . . . 15.0 114.985 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.608 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 23.7 m -76.44 -9.44 58.65 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.784 0.661 . . . . 15.0 112.784 -177.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.23 56.43 14.81 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 121.053 -0.594 . . . . 15.0 112.326 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -65.13 -24.72 67.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.192 0.52 . . . . 15.0 110.357 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.39 27.37 9.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.535 -0.757 . . . . 15.0 110.085 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -75.65 113.46 13.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.55 -0.75 . . . . 15.0 110.401 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -112.47 32.53 5.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.13 -0.487 . . . . 15.0 110.65 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.12 146.51 41.31 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.765 -0.731 . . . . 15.0 111.634 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -85.49 105.72 16.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.218 0.532 . . . . 15.0 111.002 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.0 tt -156.2 130.8 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.462 -0.79 . . . . 15.0 109.321 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.6 37.25 4.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.914 0.388 . . . . 15.0 111.46 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -140.54 153.93 46.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.264 -0.426 . . . . 15.0 111.215 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.7 p -95.83 -177.43 4.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.966 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -68.48 -22.72 64.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.883 0.373 . . . . 15.0 110.792 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.02 3.55 51.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.225 -0.443 . . . . 15.0 110.985 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.63 25.42 72.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.871 -0.68 . . . . 15.0 112.754 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.61 158.02 16.19 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.313 -0.254 . . . . 15.0 110.313 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -81.33 131.64 35.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.065 0.46 . . . . 15.0 111.622 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.519 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 13.7 t -82.5 142.24 32.02 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.527 -0.761 . . . . 15.0 110.874 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.404 ' HG2' ' N ' ' A' ' 31' ' ' ALA . 5.0 tt0 -94.11 148.8 21.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.869 -0.605 . . . . 15.0 109.998 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.572 ' HB3' ' OG ' ' A' ' 34' ' ' SER . . . -67.34 144.22 55.96 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 110.33 -0.248 . . . . 15.0 110.33 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 60.7 m95 -67.54 -26.41 66.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.21 -0.45 . . . . 15.0 111.409 -178.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -103.21 11.83 36.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.673 -0.239 . . . . 15.0 111.444 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.572 ' OG ' ' HB3' ' A' ' 31' ' ' ALA . 3.0 m -67.59 153.9 42.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 15.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -104.53 19.67 19.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.41 -0.359 . . . . 15.0 111.45 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.36 143.95 97.67 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 106.507 -1.664 . . . . 15.0 106.507 176.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.81 100.7 1.22 Allowed 'Trans proline' 0 N--CA 1.457 -0.638 0 CA-C-N 120.101 1.072 . . . . 15.0 112.812 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.422 ' NE2' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -121.25 162.63 19.9 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 113.928 -1.487 . . . . 15.0 109.209 176.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.69 110.47 22.81 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 107.312 -1.366 . . . . 15.0 107.312 175.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -172.08 174.38 4.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.193 0.521 . . . . 15.0 111.414 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.4 ' HA3' ' OD1' ' B' ' 117' ' ' ASN . . . -138.01 21.29 3.17 Favored Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.41 -0.814 . . . . 15.0 111.114 178.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -86.61 111.47 20.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.519 -0.341 . . . . 15.0 110.816 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.442 HG22 ' H ' ' A' ' 45' ' ' SER . 44.1 mm -119.38 130.26 24.94 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.375 -0.602 . . . . 15.0 109.375 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -51.9 -35.07 58.6 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.847 2.364 . . . . 15.0 113.048 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.442 ' H ' HG22 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -67.11 -18.88 65.51 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.871 0.367 . . . . 15.0 111.74 -179.763 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -86.91 -26.08 24.09 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.001 0.429 . . . . 15.0 111.084 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -124.54 68.7 51.92 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.153 -0.476 . . . . 15.0 110.987 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.86 -32.72 8.73 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.22 1.946 . . . . 15.0 112.329 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -75.09 -10.46 59.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.264 -0.425 . . . . 15.0 111.389 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -92.7 -4.13 53.7 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.71 -0.478 . . . . 15.0 109.71 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 39.6 t30 55.16 56.74 6.17 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 114.992 -1.004 . . . . 15.0 111.232 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mp -84.17 109.85 18.06 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.489 -0.56 . . . . 15.0 109.489 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -144.0 150.63 38.56 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.333 -0.394 . . . . 15.0 110.646 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt 53.59 -129.12 2.32 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.798 -0.637 . . . . 15.0 111.203 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -130.12 26.3 5.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.926 0.393 . . . . 15.0 110.56 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -75.47 136.78 40.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.231 -0.441 . . . . 15.0 110.767 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 50.8 t -71.47 146.31 48.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.198 -0.456 . . . . 15.0 110.269 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.23 179.43 7.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 15.0 109.674 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -119.69 86.82 36.01 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.563 -0.289 . . . . 15.0 110.799 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -92.84 2.32 3.64 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.856 2.371 . . . . 15.0 112.032 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -105.46 -8.44 18.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.689 -0.687 . . . . 15.0 111.547 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 60.64 31.44 20.18 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.157 0.504 . . . . 15.0 109.849 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.32 -171.85 3.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.566 -0.743 . . . . 15.0 111.079 -178.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.432 ' H ' HD12 ' A' ' 64' ' ' LEU . 5.3 mp -51.37 -42.27 61.22 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.518 -0.764 . . . . 15.0 112.868 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -163.59 154.43 13.88 Favored Pre-proline 0 C--O 1.224 -0.255 0 C-N-CA 120.983 -0.287 . . . . 15.0 111.106 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.608 ' HD3' ' O ' ' A' ' 12' ' ' SER . 52.4 Cg_exo -52.22 135.34 52.88 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.995 2.463 . . . . 15.0 113.738 -178.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 -130.78 179.22 6.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.2 -0.909 . . . . 15.0 109.426 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.519 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -164.62 158.25 17.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.719 0.295 . . . . 15.0 110.688 179.755 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -79.21 141.75 36.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 15.0 109.944 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.49 142.15 39.31 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.473 -0.331 . . . . 15.0 111.284 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.78 52.84 2.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.978 0.418 . . . . 15.0 112.056 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -132.48 128.82 21.22 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.463 -0.335 . . . . 15.0 110.263 179.677 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 29.8 Cg_exo -60.08 -21.22 64.61 Favored 'Trans proline' 0 N--CA 1.476 0.472 0 C-N-CA 122.57 2.18 . . . . 15.0 113.388 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -98.04 -0.45 44.57 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.551 -0.295 . . . . 15.0 111.682 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -149.78 104.74 3.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.615 0.245 . . . . 15.0 110.627 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.422 ' HA ' ' NE2' ' A' ' 38' ' ' HIS . 20.7 mtm180 -67.93 -45.21 74.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.217 -0.447 . . . . 15.0 111.231 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 58.5 p-90 -153.42 166.1 33.73 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.876 -0.33 . . . . 15.0 111.018 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -152.21 170.13 20.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.343 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -89.5 162.36 15.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.549 -0.75 . . . . 15.0 110.369 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 11.0 t -117.21 137.35 52.42 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.392 -0.595 . . . . 15.0 109.392 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -90.47 109.76 20.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 15.0 110.68 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.1 mt -124.85 132.61 24.34 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.935 -0.575 . . . . 15.0 110.421 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.35 133.07 44.21 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.702 2.268 . . . . 15.0 112.435 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -101.5 167.72 9.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.107 -0.497 . . . . 15.0 110.788 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.0 m -90.89 164.76 13.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.133 -0.485 . . . . 15.0 110.117 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.08 -36.43 64.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.307 0.575 . . . . 15.0 109.808 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.313 -0.851 . . . . 15.0 110.09 179.483 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.816 0 N-CA-C 111.976 -0.449 . . . . 15.0 111.976 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 4.9 t -155.79 -162.18 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.162 -0.681 . . . . 15.0 109.162 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.417 HG13 ' O ' ' B' ' 103' ' ' VAL . 6.7 p -69.06 99.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.739 0.78 . . . . 15.0 109.793 179.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -105.27 -0.6 26.17 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.598 -0.728 . . . . 15.0 111.112 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -68.18 -53.7 23.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.227 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -91.44 57.18 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.724 -0.472 . . . . 15.0 109.724 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.86 -61.18 2.72 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.86 0.689 . . . . 15.0 112.86 -178.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.14 93.55 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.899 0.333 . . . . 15.0 111.899 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.03 -49.83 74.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 15.0 111.291 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.72 -41.6 92.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.42 . . . . 15.0 111.224 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -57.74 -49.14 77.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.012 -0.54 . . . . 15.0 110.924 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.32 -47.21 86.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.287 -0.415 . . . . 15.0 111.143 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -59.95 -44.85 94.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 15.0 111.567 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -69.92 -46.95 64.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.685 -0.234 . . . . 15.0 111.56 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 30.9 tp -57.37 -39.57 76.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.16 0.505 . . . . 15.0 110.377 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -72.28 -42.19 65.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.423 -0.808 . . . . 15.0 110.653 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' ASN . . . . . 0.4 ' OD1' ' HA3' ' A' ' 41' ' ' GLY . 7.4 t30 -61.34 -46.97 88.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.76 -0.655 . . . . 15.0 111.465 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -34.05 73.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.424 . . . . 15.0 111.429 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -79.31 -42.24 26.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.382 -0.372 . . . . 15.0 111.117 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.72 -19.27 62.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 15.0 111.83 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -57.95 -17.94 20.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.45 -0.341 . . . . 15.0 111.809 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -60.89 -75.38 0.07 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.773 0.321 . . . . 15.0 111.131 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -134.92 -3.69 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 15.0 111.409 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -95.6 12.75 28.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.618 -0.265 . . . . 15.0 110.722 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.15 -35.75 75.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.103 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -69.52 -26.67 64.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.909 0.385 . . . . 15.0 110.584 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 60.1 ttp85 -86.27 -31.35 21.7 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.305 -0.628 . . . . 15.0 109.305 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -55.82 -50.39 70.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.184 -0.916 . . . . 15.0 110.253 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -61.78 -46.6 88.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.095 -0.502 . . . . 15.0 111.392 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 3.9 m -62.07 -41.61 98.34 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.812 0.339 . . . . 15.0 111.313 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -65.92 -41.79 90.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 15.0 110.854 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -42.62 79.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.934 -0.575 . . . . 15.0 111.637 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -58.58 -53.73 54.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 15.0 111.643 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.69 -36.97 83.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 15.0 110.814 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -62.64 -49.59 74.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.465 . . . . 15.0 111.338 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -32.04 73.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.046 0.45 . . . . 15.0 110.535 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . 0.427 ' HB3' ' HE2' ' B' ' 137' ' ' LYS . 34.3 ttpt -63.55 -42.48 98.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.873 -0.603 . . . . 15.0 110.112 179.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -75.91 -27.91 57.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.011 -0.541 . . . . 15.0 110.088 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.33 -22.38 66.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.754 -0.657 . . . . 15.0 111.522 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.37 -45.94 83.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.755 0.312 . . . . 15.0 110.693 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -69.6 -37.85 77.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.86 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.444 ' O ' ' HB2' ' B' ' 146' ' ' GLU . 10.6 ttp180 -68.24 -57.03 6.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.261 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -62.49 -22.88 66.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.55 . . . . 15.0 112.213 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' B' ' 148' ' ' LYS . . . -58.27 -49.07 78.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.36 . . . . 15.0 110.497 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -92.09 -35.5 13.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 15.0 111.661 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 146' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' B' ' 142' ' ' ARG . 9.8 tt0 -58.34 -57.08 14.47 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.872 0.693 . . . . 15.0 112.872 -177.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -77.01 -10.1 59.14 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.194 0.521 . . . . 15.0 111.163 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' B' ' 144' ' ' ALA . 65.1 tttt -82.21 -45.53 14.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.801 -0.636 . . . . 15.0 110.253 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 45.2 tp -83.14 -53.35 5.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.592 -0.731 . . . . 15.0 110.53 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -95.96 90.6 5.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.061 0.457 . . . . 15.0 110.512 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -87.67 -17.29 32.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.211 -0.45 . . . . 15.0 111.269 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.744 -0.646 . . . . 15.0 110.316 179.854 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 121.009 0.433 . . . . 15.0 110.296 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.2 m -113.54 159.17 13.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.292 -0.413 . . . . 15.0 110.762 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -91.25 -17.96 25.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.208 0.528 . . . . 15.0 109.907 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -113.25 69.61 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.778 -0.646 . . . . 15.0 110.034 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.81 137.52 36.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.65 -0.704 . . . . 15.0 110.572 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -136.77 120.85 17.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.951 0.405 . . . . 15.0 110.734 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -161.72 162.27 29.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.715 -0.675 . . . . 15.0 109.811 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.6 m -136.15 132.19 35.68 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.99 0.424 . . . . 15.0 110.294 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.2 mmt -114.67 167.47 10.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.108 -0.496 . . . . 15.0 110.466 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.3 t60 -66.36 151.63 46.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.317 -0.401 . . . . 15.0 110.187 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.49 -60.59 7.63 Favored Glycine 0 CA--C 1.522 0.487 0 O-C-N 123.44 0.463 . . . . 15.0 113.114 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.6 t -68.05 -41.62 81.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.893 0.378 . . . . 15.0 110.76 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 61.44 44.25 98.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.992 -0.623 . . . . 15.0 112.246 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -70.56 -38.56 74.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.96 0.409 . . . . 15.0 111.226 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -95.17 26.59 3.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.177 -0.465 . . . . 15.0 110.977 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -65.12 112.11 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.647 -0.501 . . . . 15.0 109.647 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.445 ' HA ' ' NH2' ' A' ' 58' ' ' ARG . 8.1 t70 -116.79 11.7 14.6 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.171 -0.468 . . . . 15.0 110.923 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.93 147.67 50.29 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.641 -0.709 . . . . 15.0 112.008 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -76.99 115.5 16.84 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.947 0.403 . . . . 15.0 110.666 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 tt -165.46 131.14 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.536 -0.756 . . . . 15.0 109.838 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 p -130.74 39.8 3.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.21 0.529 . . . . 15.0 110.568 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -142.52 154.35 44.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.659 -0.7 . . . . 15.0 110.48 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.7 p -93.16 177.36 6.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.981 -0.554 . . . . 15.0 110.197 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -68.45 -19.23 64.56 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.182 0.515 . . . . 15.0 110.327 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -12.16 54.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.637 -0.711 . . . . 15.0 110.827 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.2 25.58 33.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.657 -0.782 . . . . 15.0 111.819 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.4 mt -97.16 154.5 17.33 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.263 -0.273 . . . . 15.0 110.263 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -74.8 137.78 42.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.052 -0.522 . . . . 15.0 110.939 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.589 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 28.7 t -90.57 141.43 28.77 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.635 -0.712 . . . . 15.0 111.029 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -87.13 144.57 26.8 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.586 -0.734 . . . . 15.0 110.166 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -70.09 140.8 52.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.496 -0.32 . . . . 15.0 110.786 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -67.99 -19.82 64.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.812 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -103.16 3.59 35.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 15.0 111.32 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.489 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 34.4 t -79.95 147.56 31.56 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.089 -0.337 . . . . 15.0 110.089 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -109.21 36.56 2.87 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 120.72 -0.392 . . . . 15.0 111.873 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.66 142.72 96.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 105.413 -2.069 . . . . 15.0 105.413 175.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -70.9 97.92 0.76 Allowed 'Trans proline' 0 N--CA 1.454 -0.831 0 CA-C-N 121.085 1.423 . . . . 15.0 112.649 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.634 ' NE2' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -123.13 164.63 18.28 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 113.488 -1.687 . . . . 15.0 108.88 176.161 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.27 112.34 24.07 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 106.955 -1.498 . . . . 15.0 106.955 175.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.499 ' HA ' ' NH1' ' B' ' 132' ' ' ARG . 46.5 p-80 -170.92 -177.86 2.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.19 0.519 . . . . 15.0 111.828 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.62 35.76 0.43 Allowed Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.27 -0.877 . . . . 15.0 110.933 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -104.83 108.1 19.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 15.0 110.683 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 8.9 mm -110.88 129.47 23.94 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.968 -0.56 . . . . 15.0 109.577 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -53.62 -27.46 41.74 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.157 2.571 . . . . 15.0 113.608 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.57 -22.22 61.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.045 0.45 . . . . 15.0 111.089 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -95.9 -6.22 39.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.016 -0.538 . . . . 15.0 110.738 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -136.69 56.67 13.82 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.131 -0.486 . . . . 15.0 111.701 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -82.39 -6.41 11.86 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.07 1.846 . . . . 15.0 111.349 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -80.85 -25.47 37.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.909 -1.041 . . . . 15.0 110.707 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -102.19 8.89 40.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.008 0.432 . . . . 15.0 110.444 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 51.4 t30 54.51 56.81 6.39 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.095 -0.957 . . . . 15.0 112.028 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.0 mp -79.52 110.53 14.92 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.504 -0.554 . . . . 15.0 109.504 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -143.8 144.09 31.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.575 0.226 . . . . 15.0 110.722 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt 52.47 -133.77 1.76 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.523 -0.762 . . . . 15.0 111.928 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -120.4 31.5 6.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.989 0.424 . . . . 15.0 110.95 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -81.05 144.65 31.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.268 -0.424 . . . . 15.0 110.333 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.9 t -62.71 132.68 53.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.279 -0.419 . . . . 15.0 109.996 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.445 ' NH2' ' HA ' ' A' ' 17' ' ' ASP . 2.4 mmp_? -133.93 169.85 16.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.776 0.322 . . . . 15.0 110.57 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -134.28 82.98 45.67 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-O 121.343 0.592 . . . . 15.0 109.624 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -85.27 1.97 8.07 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.465 2.11 . . . . 15.0 113.872 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.441 ' HB2' ' HD3' ' B' ' 129' ' ' LYS . 38.1 t70 -109.24 -15.6 14.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.813 0.339 . . . . 15.0 110.825 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.1 mtm105 66.06 29.93 9.78 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.152 -1.055 . . . . 15.0 108.152 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -76.3 -171.62 1.82 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 114.584 -1.189 . . . . 15.0 111.126 -179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.0 mt -51.03 -43.3 60.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.213 -0.903 . . . . 15.0 112.983 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -160.15 148.69 13.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 C-N-CA 120.61 -0.436 . . . . 15.0 111.913 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.52 145.87 21.08 Favored 'Trans proline' 0 C--O 1.238 0.52 0 C-N-CA 123.236 2.624 . . . . 15.0 114.101 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 29.7 p-90 -136.8 173.31 11.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.145 -0.934 . . . . 15.0 109.775 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.589 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 4.9 p -164.88 156.87 15.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.577 -0.283 . . . . 15.0 111.019 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -79.52 147.76 32.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 15.0 109.922 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.31 167.04 10.07 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.888 0.375 . . . . 15.0 111.274 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 p -99.3 18.71 16.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.018 0.437 . . . . 15.0 110.848 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.44 119.64 48.9 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 15.0 109.872 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.5 -21.06 22.71 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.267 2.645 . . . . 15.0 114.686 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -87.29 -11.86 48.31 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.696 0.284 . . . . 15.0 111.604 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.78 109.18 6.91 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.04 -0.355 . . . . 15.0 110.04 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.634 ' HA ' ' NE2' ' A' ' 38' ' ' HIS . 8.8 mtm180 -65.89 -54.03 31.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.616 0.246 . . . . 15.0 110.875 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.408 ' CZ2' ' HA ' ' B' ' 133' ' ' HIS . 66.4 p-90 -146.98 159.75 43.19 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.895 -0.409 . . . . 15.0 109.895 179.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -141.22 173.21 11.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.223 0.535 . . . . 15.0 111.345 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -94.49 158.96 15.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.357 -0.838 . . . . 15.0 110.837 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 5.0 t -120.36 138.64 53.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.211 -0.663 . . . . 15.0 109.211 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -95.23 115.97 28.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.807 0.337 . . . . 15.0 110.59 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.9 mt -125.15 132.82 24.4 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.097 -0.501 . . . . 15.0 110.125 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -64.78 122.68 10.59 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.27 1.98 . . . . 15.0 111.177 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -103.28 163.15 12.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.167 -0.47 . . . . 15.0 111.095 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 18.6 m -74.0 149.52 41.24 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.933 -0.576 . . . . 15.0 110.271 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.59 -25.61 50.06 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.905 0.383 . . . . 15.0 110.738 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.215 0 CA-C-O 118.748 -0.644 . . . . 15.0 110.323 179.661 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 112.473 -0.251 . . . . 15.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 14.4 p -157.97 -151.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.723 0.262 . . . . 15.0 110.414 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 p -76.4 74.11 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-O 122.221 1.01 . . . . 15.0 110.523 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -86.93 8.34 23.55 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.361 -0.836 . . . . 15.0 112.197 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -71.48 -27.07 62.98 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.159 0.504 . . . . 15.0 109.838 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -102.2 41.02 1.26 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.75 -0.659 . . . . 15.0 109.55 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -56.9 15.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.633 -0.712 . . . . 15.0 112.627 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.58 -42.35 95.69 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.829 0.307 . . . . 15.0 111.829 -178.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -62.23 -45.48 93.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.052 -0.522 . . . . 15.0 110.787 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.67 -38.04 73.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 15.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -61.84 -48.88 78.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 15.0 110.674 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 65.8 mt -59.49 -41.38 89.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.873 0.368 . . . . 15.0 110.539 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -66.42 -42.54 87.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 15.0 110.359 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -67.86 -44.4 77.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.531 . . . . 15.0 111.101 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 17.3 tp -60.94 -39.18 88.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.113 0.482 . . . . 15.0 110.346 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -68.91 -44.98 72.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.557 -0.747 . . . . 15.0 110.029 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -64.5 -37.52 87.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.897 -0.592 . . . . 15.0 110.747 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -61.88 -44.52 96.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.831 -0.622 . . . . 15.0 111.374 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.18 -35.74 55.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.918 0.39 . . . . 15.0 111.013 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.01 -27.46 65.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.107 -0.497 . . . . 15.0 111.417 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -48.67 -28.4 3.51 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 122.959 0.504 . . . . 15.0 111.623 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -54.35 -67.72 0.24 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.949 -0.569 . . . . 15.0 110.864 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -154.53 4.01 0.24 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.435 0.531 . . . . 15.0 112.435 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.04 3.0 32.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.999 0.428 . . . . 15.0 110.318 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 18.0 tp -58.78 -29.8 67.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.535 -0.757 . . . . 15.0 110.925 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -61.34 -54.68 40.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.808 -0.633 . . . . 15.0 110.526 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -73.75 -33.41 64.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.075 -0.512 . . . . 15.0 110.84 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -58.04 -43.82 87.05 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.347 0.594 . . . . 15.0 109.787 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.441 ' HD3' ' HB2' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -63.83 -38.1 89.83 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.258 -0.883 . . . . 15.0 110.539 179.65 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 1.5 m -71.12 -31.33 67.62 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.319 0.58 . . . . 15.0 110.157 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -65.25 -34.82 79.26 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.709 -0.678 . . . . 15.0 109.836 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . 0.499 ' NH1' ' HA ' ' A' ' 40' ' ' HIS . 19.4 mtp180 -59.56 -38.7 81.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.716 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' HIS . . . . . 0.408 ' HA ' ' CZ2' ' A' ' 77' ' ' TRP . 2.0 m80 -54.86 -42.87 72.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 15.0 111.32 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . 0.448 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 25.2 t70 -85.07 -30.72 23.86 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.079 0.4 . . . . 15.0 112.079 -179.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -74.47 -45.7 44.48 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.182 0.438 . . . . 15.0 112.182 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.34 -38.34 90.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.712 0.292 . . . . 15.0 111.329 -178.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 0.2 OUTLIER -64.08 -32.66 74.3 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.727 -0.471 . . . . 15.0 109.727 179.332 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -76.91 -36.31 56.73 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.896 -0.779 . . . . 15.0 108.896 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.03 -37.15 81.57 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.413 -0.812 . . . . 15.0 110.067 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.76 -38.21 72.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.343 -0.39 . . . . 15.0 110.757 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.74 -38.28 21.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.224 -0.443 . . . . 15.0 111.114 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 38.5 ttp85 -71.66 -44.34 64.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.539 -0.3 . . . . 15.0 111.657 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -61.13 -29.84 70.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.652 -0.249 . . . . 15.0 111.283 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . 0.539 ' O ' ' HB2' ' B' ' 148' ' ' LYS . . . -60.72 -41.96 96.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 15.0 110.641 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.76 -37.1 16.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.917 -0.583 . . . . 15.0 110.834 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -60.47 -55.41 33.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.823 -0.626 . . . . 15.0 111.507 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -70.73 -17.49 62.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.045 0.45 . . . . 15.0 110.898 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . 0.539 ' HB2' ' O ' ' B' ' 144' ' ' ALA . 66.6 tttt -72.63 -26.59 61.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.898 -0.592 . . . . 15.0 109.994 179.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 14.3 tp -105.51 -38.4 6.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.827 -0.624 . . . . 15.0 110.464 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -78.49 83.45 4.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.037 -0.529 . . . . 15.0 110.595 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -65.41 0.69 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.387 -0.824 . . . . 15.0 111.398 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.402 -0.808 . . . . 15.0 110.036 -179.636 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.8 0.333 . . . . 15.0 110.245 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.8 m -100.88 149.9 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 15.0 109.943 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -75.12 -42.98 55.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.929 0.395 . . . . 15.0 110.362 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -69.79 110.51 4.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.971 -0.559 . . . . 15.0 111.271 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -121.2 155.61 34.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.033 -0.531 . . . . 15.0 110.447 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -150.54 99.03 2.71 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.124 -0.324 . . . . 15.0 110.124 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -166.38 162.67 17.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.445 -0.343 . . . . 15.0 110.46 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.9 m -144.07 150.97 39.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.299 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.5 mmt -114.91 154.6 28.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.569 -0.287 . . . . 15.0 110.449 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.59 95.46 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.998 -0.546 . . . . 15.0 112.146 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 39.43 -101.9 0.02 OUTLIER Glycine 0 CA--C 1.522 0.53 0 O-C-N 124.17 0.919 . . . . 15.0 115.148 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.603 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 47.8 t -65.1 -39.2 92.83 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 122.983 0.513 . . . . 15.0 111.602 -179.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.11 48.39 75.8 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.746 -0.74 . . . . 15.0 111.674 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.9 -38.13 87.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.86 0.362 . . . . 15.0 111.109 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -96.76 27.92 3.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.17 -0.468 . . . . 15.0 111.204 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -66.8 110.58 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 15.0 110.839 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -109.14 26.75 10.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.326 0.584 . . . . 15.0 110.306 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.59 159.65 53.11 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.608 -0.724 . . . . 15.0 112.453 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -92.49 105.68 17.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.878 0.371 . . . . 15.0 111.034 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.5 tt -162.66 137.67 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.914 -0.584 . . . . 15.0 109.511 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.37 25.27 3.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.15 0.5 . . . . 15.0 110.979 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -130.6 136.23 48.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.995 -0.548 . . . . 15.0 110.254 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.7 p -80.22 177.23 9.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.752 0.31 . . . . 15.0 110.753 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -70.02 -15.9 63.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.223 0.535 . . . . 15.0 110.328 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.62 -2.73 58.81 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.85 -0.614 . . . . 15.0 110.855 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.46 25.12 63.95 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.892 -0.67 . . . . 15.0 112.419 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.1 mt -98.08 163.18 12.86 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.919 -0.401 . . . . 15.0 109.919 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -91.15 144.03 26.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.011 0.434 . . . . 15.0 110.578 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.622 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 3.5 t -96.34 141.88 29.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.808 -0.633 . . . . 15.0 111.897 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -88.06 139.13 30.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.547 -0.752 . . . . 15.0 109.848 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.546 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -62.6 141.58 58.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.499 -0.319 . . . . 15.0 110.961 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -63.83 -23.01 67.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.063 -0.517 . . . . 15.0 111.591 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -98.68 -9.86 24.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.454 -0.339 . . . . 15.0 111.426 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.546 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 13.0 t -77.21 146.12 37.18 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 108.341 -0.985 . . . . 15.0 108.341 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -118.93 60.37 0.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.76 1.022 . . . . 15.0 113.76 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.18 161.15 79.94 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 105.016 -2.216 . . . . 15.0 105.016 174.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -72.28 97.49 0.86 Allowed 'Trans proline' 0 N--CA 1.455 -0.768 0 CA-C-N 122.084 1.78 . . . . 15.0 111.918 -178.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.535 ' NE2' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -124.63 162.65 23.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.025 -1.443 . . . . 15.0 110.141 176.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.75 113.34 26.78 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 106.961 -1.496 . . . . 15.0 106.961 174.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -171.62 -176.35 1.77 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.292 0.568 . . . . 15.0 112.314 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.7 28.37 0.48 Allowed Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.026 -0.988 . . . . 15.0 110.792 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -94.59 73.29 3.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.958 0.409 . . . . 15.0 110.941 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.49 HG22 ' H ' ' A' ' 45' ' ' SER . 33.0 mm -79.97 131.37 63.54 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.092 -0.504 . . . . 15.0 110.093 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -52.75 -31.23 50.05 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.991 2.461 . . . . 15.0 112.595 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.49 ' H ' HG22 ' A' ' 43' ' ' ILE . 1.1 m -70.69 -11.6 61.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.017 -0.538 . . . . 15.0 111.431 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -99.05 -15.4 19.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.514 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -136.4 60.07 30.04 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.29 -0.414 . . . . 15.0 111.206 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.74 -24.03 18.66 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 121.897 1.732 . . . . 15.0 111.972 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -77.53 -12.27 59.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.825 -0.625 . . . . 15.0 111.413 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -98.05 3.98 49.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.016 0.436 . . . . 15.0 109.991 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 55.4 t30 52.39 61.52 3.16 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.092 -0.958 . . . . 15.0 111.94 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.1 mp -84.42 109.46 17.89 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.52 -0.548 . . . . 15.0 109.52 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -146.52 148.99 32.76 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 116.187 -0.46 . . . . 15.0 110.355 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt 51.83 -142.1 0.76 Allowed 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.593 0.558 . . . . 15.0 111.261 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.415 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 32.8 p-10 -118.87 28.99 7.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.112 0.482 . . . . 15.0 110.249 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -77.87 140.53 39.34 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.874 -0.603 . . . . 15.0 110.364 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 9.3 t -60.46 129.89 43.87 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.826 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 58' ' ' ARG . 5.8 mmp_? -134.67 166.44 22.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.999 -0.546 . . . . 15.0 109.869 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -126.94 75.54 76.19 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.653 -0.499 . . . . 15.0 109.653 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -87.91 -4.94 7.02 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.696 2.264 . . . . 15.0 111.728 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.45 ' OD2' ' HB2' ' B' ' 129' ' ' LYS . 0.4 OUTLIER -91.67 -23.17 19.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.538 -0.755 . . . . 15.0 110.213 -179.622 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 mtm105 65.55 35.98 6.85 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.643 -0.708 . . . . 15.0 109.932 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -89.51 -169.47 2.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.87 -1.059 . . . . 15.0 110.155 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.5 mt -49.65 -46.73 49.99 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.906 0.706 . . . . 15.0 112.906 -178.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -156.17 155.85 29.6 Favored Pre-proline 0 C--N 1.331 -0.239 0 C-N-CA 120.715 -0.394 . . . . 15.0 111.756 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.603 ' HD3' ' O ' ' A' ' 12' ' ' SER . 32.0 Cg_exo -56.6 144.13 86.42 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.956 2.437 . . . . 15.0 113.717 -179.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 43.8 p-90 -139.34 -176.44 4.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.022 -0.99 . . . . 15.0 109.425 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.622 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 2.5 p -165.67 154.22 11.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.626 0.25 . . . . 15.0 110.701 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -75.52 133.51 40.99 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.488 -0.56 . . . . 15.0 109.488 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.31 155.62 16.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.233 -0.44 . . . . 15.0 111.454 -178.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.64 11.3 3.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 15.0 112.086 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.5 OUTLIER -94.62 127.37 44.02 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 110.399 -0.223 . . . . 15.0 110.399 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 18.4 Cg_exo -66.12 -19.5 57.08 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.395 2.063 . . . . 15.0 112.866 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -88.2 -18.29 29.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.538 -0.301 . . . . 15.0 111.411 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.8 tptp -133.23 109.57 9.51 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.855 -0.424 . . . . 15.0 109.855 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.535 ' HA ' ' NE2' ' A' ' 38' ' ' HIS . 9.1 mtm180 -64.34 -56.0 17.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.278 -0.419 . . . . 15.0 111.388 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.9 p-90 -146.71 153.73 40.6 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.794 -0.363 . . . . 15.0 110.673 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -139.06 165.05 28.15 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.079 -0.509 . . . . 15.0 110.63 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -83.4 160.97 21.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.548 -0.751 . . . . 15.0 111.718 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.6 t -118.06 134.32 55.09 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.035 -0.728 . . . . 15.0 109.035 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -89.3 96.7 10.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.012 0.434 . . . . 15.0 110.867 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.5 mt -111.85 125.64 29.94 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.535 -0.757 . . . . 15.0 109.983 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.91 122.98 12.52 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 122.886 2.391 . . . . 15.0 112.841 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -98.58 159.68 14.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.744 -0.662 . . . . 15.0 110.237 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 17.7 m -72.68 149.04 44.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.348 -0.387 . . . . 15.0 110.666 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.07 -20.39 48.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.014 0.435 . . . . 15.0 110.985 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.294 -0.86 . . . . 15.0 110.442 179.828 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.806 0 N-CA-C 112.052 -0.419 . . . . 15.0 112.052 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.64 153.59 21.04 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.389 -0.226 . . . . 15.0 110.389 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 14.5 p -64.83 134.74 29.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 121.302 0.572 . . . . 15.0 111.454 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -122.22 43.42 2.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.004 -0.544 . . . . 15.0 110.856 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -68.76 -30.02 68.53 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.138 -0.483 . . . . 15.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.4 ' HB3' ' HB3' ' B' ' 109' ' ' ASP . 1.9 mm? -97.67 77.15 2.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.959 -0.564 . . . . 15.0 110.587 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -63.48 1.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.874 0.369 . . . . 15.0 111.97 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.91 -36.88 78.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.29 -0.414 . . . . 15.0 111.977 -178.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.4 ' HB3' ' HB3' ' B' ' 106' ' ' LEU . 0.3 OUTLIER -56.73 -51.34 69.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.161 -0.472 . . . . 15.0 111.326 -179.333 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.03 -36.23 74.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.087 -0.506 . . . . 15.0 111.154 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.47 -50.24 72.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.433 -0.349 . . . . 15.0 110.645 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 99.4 mt -62.66 -47.75 82.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 15.0 110.858 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -60.11 -46.45 89.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.851 -0.613 . . . . 15.0 111.495 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -66.71 -46.13 76.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.634 -0.257 . . . . 15.0 110.956 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 27.7 tp -56.41 -50.1 72.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 15.0 110.716 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -62.89 -38.66 91.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.625 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -63.56 -45.59 89.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.335 -0.393 . . . . 15.0 111.161 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -68.91 -34.2 75.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.631 -0.259 . . . . 15.0 111.157 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.47 -45.27 60.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.136 0.493 . . . . 15.0 110.285 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.23 -18.87 61.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.949 -0.569 . . . . 15.0 111.552 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -52.6 -24.66 8.74 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 122.94 0.496 . . . . 15.0 112.332 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.28 -69.27 0.23 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.487 -0.324 . . . . 15.0 111.572 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -137.39 -4.78 1.84 Allowed 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.379 0.511 . . . . 15.0 112.379 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -97.64 11.22 37.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.516 -0.311 . . . . 15.0 110.581 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 33.6 tp -56.93 -37.85 72.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.235 -0.439 . . . . 15.0 111.874 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.13 -36.91 82.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.387 -0.369 . . . . 15.0 111.009 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 37.6 ttp85 -81.45 -25.1 36.4 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.579 -0.448 . . . . 15.0 109.986 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -59.32 -51.18 71.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 15.0 110.174 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.487 ' HG2' ' N ' ' B' ' 130' ' ' SER . 0.1 OUTLIER -63.08 -39.34 94.43 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.392 -0.367 . . . . 15.0 110.923 -179.729 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . 0.487 ' N ' ' HG2' ' B' ' 129' ' ' LYS . 1.6 m -65.31 -42.44 93.02 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.044 0.449 . . . . 15.0 110.954 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -65.76 -42.5 90.79 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.096 -0.502 . . . . 15.0 109.793 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -43.87 79.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.73 -0.668 . . . . 15.0 110.355 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -53.46 53.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.415 -0.811 . . . . 15.0 112.072 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . 0.519 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 15.3 t70 -74.68 -32.27 62.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.284 -0.416 . . . . 15.0 112.002 -178.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -69.77 -39.66 76.52 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.709 0.29 . . . . 15.0 110.975 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -61.52 -43.38 98.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.161 -0.472 . . . . 15.0 110.947 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 3.9 ptpt -66.64 -20.43 65.99 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.417 -0.356 . . . . 15.0 110.881 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -85.05 -31.65 23.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.4 0.619 . . . . 15.0 109.402 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' B' ' 143' ' ' LYS . 49.5 mm-40 -75.61 -8.86 57.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.402 -0.817 . . . . 15.0 110.641 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.03 -59.46 4.88 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.311 0.382 . . . . 15.0 111.55 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 41.0 mp0 -79.11 -34.82 43.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.929 0.395 . . . . 15.0 110.745 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 9.2 ttp85 -62.09 -49.0 77.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.252 -0.431 . . . . 15.0 111.312 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' B' ' 139' ' ' GLU . 28.4 mmtm -68.5 -33.11 73.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.306 0.098 . . . . 15.0 110.971 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -55.99 -43.99 78.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 15.0 111.106 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -89.22 -28.44 19.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.223 -0.444 . . . . 15.0 111.567 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -68.16 -51.63 43.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.517 -0.311 . . . . 15.0 110.428 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -64.66 -31.0 72.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.165 0.507 . . . . 15.0 110.149 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -67.78 -49.2 63.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.672 -0.694 . . . . 15.0 110.821 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 20.2 tp -73.93 -42.25 60.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.97 0.414 . . . . 15.0 110.529 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -94.13 86.85 5.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.221 0.534 . . . . 15.0 110.565 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -74.84 -16.44 60.69 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.943 -0.572 . . . . 15.0 109.865 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 . . . . . 0 C--O 1.246 0.876 0 CA-C-O 118.507 -0.758 . . . . 15.0 109.517 178.626 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.94 0.4 . . . . 15.0 110.239 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.4 m -112.62 156.64 13.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.262 -0.426 . . . . 15.0 110.132 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -82.59 -25.84 32.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.895 0.378 . . . . 15.0 110.853 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -100.26 114.73 28.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.252 -0.431 . . . . 15.0 110.061 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m -149.09 119.98 7.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.497 -0.32 . . . . 15.0 110.275 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -86.06 132.68 33.99 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.305 -0.407 . . . . 15.0 110.839 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -167.26 156.39 10.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 15.0 111.206 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.9 m -143.21 137.76 29.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.763 -0.653 . . . . 15.0 110.024 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.438 ' HG3' HG21 ' A' ' 82' ' ' ILE . 20.4 mmt -117.45 168.87 9.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.115 0.484 . . . . 15.0 111.526 -178.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -66.01 151.83 45.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.379 -0.828 . . . . 15.0 110.561 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -47.42 -65.69 2.24 Favored Glycine 0 C--N 1.332 0.354 0 O-C-N 123.487 0.492 . . . . 15.0 114.263 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 m -68.17 -42.89 79.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.967 0.413 . . . . 15.0 111.126 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 66' ' ' PRO . . . 72.5 31.76 62.78 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.727 -0.749 . . . . 15.0 112.924 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.05 -32.4 59.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.343 0.592 . . . . 15.0 109.728 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -89.23 27.17 1.46 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.451 -0.795 . . . . 15.0 109.886 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -67.85 114.84 6.76 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.668 -0.696 . . . . 15.0 110.679 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.58 19.53 18.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.789 -0.641 . . . . 15.0 109.852 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.41 164.5 52.5 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.266 -0.879 . . . . 15.0 113.013 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -112.93 106.24 14.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.879 0.371 . . . . 15.0 110.576 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 tt -155.06 126.48 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.641 -0.503 . . . . 15.0 109.641 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.77 3.88 27.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.225 -0.443 . . . . 15.0 111.726 -178.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -117.75 152.75 34.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.831 0.348 . . . . 15.0 110.639 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.4 p -89.82 179.33 6.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.39 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -66.02 -17.73 64.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.75 0.31 . . . . 15.0 111.229 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -93.17 -5.94 48.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.276 -0.42 . . . . 15.0 111.363 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.31 7.79 69.28 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.491 -0.862 . . . . 15.0 112.838 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.5 mt -84.34 157.02 21.62 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.896 -0.409 . . . . 15.0 109.896 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -81.78 139.78 34.61 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.109 0.481 . . . . 15.0 111.598 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 6.9 t -87.76 135.89 33.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.68 -0.691 . . . . 15.0 110.598 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -82.32 138.25 34.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.911 -0.586 . . . . 15.0 110.096 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.543 ' HB3' ' OG ' ' A' ' 34' ' ' SER . . . -65.19 138.56 58.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.965 0.412 . . . . 15.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -66.3 -20.75 66.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.502 -0.772 . . . . 15.0 111.179 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -103.16 4.81 37.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.46 -0.337 . . . . 15.0 111.051 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.543 ' OG ' ' HB3' ' A' ' 31' ' ' ALA . 24.0 m -91.1 128.68 37.01 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.846 -0.427 . . . . 15.0 109.846 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -90.86 43.01 1.13 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.336 0.495 . . . . 15.0 112.336 -178.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -67.28 139.6 94.91 Favored Pre-proline 0 C--O 1.235 0.336 0 N-CA-C 105.032 -2.21 . . . . 15.0 105.032 175.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -71.03 98.1 0.79 Allowed 'Trans proline' 0 N--CA 1.456 -0.687 0 CA-C-N 120.522 1.222 . . . . 15.0 114.045 -175.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.425 ' NE2' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -124.03 165.73 16.96 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 113.235 -1.802 . . . . 15.0 107.738 174.761 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -96.79 111.5 23.65 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.448 -1.315 . . . . 15.0 107.448 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -171.15 176.0 4.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.875 0.369 . . . . 15.0 111.373 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -145.07 39.36 1.19 Allowed Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.666 -0.697 . . . . 15.0 111.601 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -105.73 125.71 51.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.709 0.29 . . . . 15.0 111.121 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.536 HG22 ' H ' ' A' ' 45' ' ' SER . 35.6 mm -136.35 133.42 19.36 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 108.602 -0.888 . . . . 15.0 108.602 179.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -50.28 -34.85 41.8 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.072 2.515 . . . . 15.0 113.404 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.536 ' H ' HG22 ' A' ' 43' ' ' ILE . 1.4 m -71.62 -4.94 30.01 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.32 0.489 . . . . 15.0 112.32 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.506 ' CD ' ' HB ' ' A' ' 43' ' ' ILE . 39.9 mtpt -102.81 -17.96 15.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.988 0.423 . . . . 15.0 110.404 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.43 ' N ' ' HD3' ' A' ' 48' ' ' PRO . 81.0 m-85 -136.27 62.34 43.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 15.0 110.531 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 47' ' ' PHE . 3.3 Cg_exo -74.14 -27.27 11.92 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.501 2.134 . . . . 15.0 112.135 -178.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -75.87 -15.74 60.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 15.0 110.79 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -94.39 -0.05 55.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.134 -0.485 . . . . 15.0 110.324 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.9 t30 56.68 61.3 2.7 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.346 -0.843 . . . . 15.0 111.683 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 mp -93.64 110.38 21.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.023 -0.535 . . . . 15.0 109.649 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -146.4 152.79 39.63 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.183 -0.462 . . . . 15.0 109.809 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt 53.38 -129.29 2.32 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.722 0.639 . . . . 15.0 111.147 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.471 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . 29.7 p-10 -131.14 32.26 4.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.092 0.472 . . . . 15.0 110.292 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -72.38 147.48 46.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.815 -0.63 . . . . 15.0 110.501 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 5.8 t -67.55 126.76 30.33 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.129 -0.693 . . . . 15.0 109.129 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -137.55 176.13 8.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.74 0.305 . . . . 15.0 110.57 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -147.06 92.64 4.9 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-O 121.109 0.48 . . . . 15.0 109.852 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -84.5 -1.85 9.76 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.358 2.038 . . . . 15.0 113.63 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 62' ' ' ARG . 32.2 t70 -104.26 -24.8 13.08 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.904 -0.318 . . . . 15.0 111.555 -179.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 19.4 mtm180 74.99 37.96 0.46 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.688 0.618 . . . . 15.0 109.336 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -81.49 -169.59 2.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.539 -0.755 . . . . 15.0 111.104 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.08 -39.93 43.98 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.64 0.978 . . . . 15.0 113.64 -178.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -163.35 152.94 12.77 Favored Pre-proline 0 N--CA 1.468 0.425 0 CA-C-N 118.327 0.512 . . . . 15.0 112.028 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.405 ' HG3' ' O ' ' A' ' 13' ' ' GLY . 50.4 Cg_exo -53.2 149.43 28.35 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.144 2.563 . . . . 15.0 113.378 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 -146.8 171.22 15.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.238 -0.892 . . . . 15.0 109.789 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.598 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -161.12 155.25 22.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.412 -0.358 . . . . 15.0 110.601 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -73.68 143.21 46.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.114 -0.494 . . . . 15.0 109.809 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.47 156.79 17.08 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.789 0.328 . . . . 15.0 111.181 -179.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.73 34.93 1.28 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.422 0.63 . . . . 15.0 110.389 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 1.9 m-20 -114.46 127.23 27.03 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.639 -0.71 . . . . 15.0 110.081 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 31.9 Cg_exo -58.5 -21.01 52.11 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.778 2.319 . . . . 15.0 113.311 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -101.65 3.93 40.29 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.644 0.238 . . . . 15.0 111.644 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -141.06 115.15 9.21 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.81 -0.356 . . . . 15.0 110.971 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.425 ' HA ' ' NE2' ' A' ' 38' ' ' HIS . 81.0 mtt-85 -67.69 -63.22 1.1 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.184 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.2 p-90 -145.36 164.87 30.14 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.278 -0.638 . . . . 15.0 109.278 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -139.33 163.93 31.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.363 0.601 . . . . 15.0 111.55 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -86.49 162.45 18.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.742 -1.117 . . . . 15.0 110.87 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 8.0 t -116.76 144.82 44.01 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.056 -0.72 . . . . 15.0 109.056 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -111.56 105.11 13.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.78 0.324 . . . . 15.0 110.402 -178.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.438 HG21 ' HG3' ' A' ' 9' ' ' MET . 1.8 mt -128.2 134.08 25.85 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.134 -0.485 . . . . 15.0 109.95 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -65.49 123.4 11.39 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.31 2.006 . . . . 15.0 112.217 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.69 156.64 17.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.358 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.0 m -69.92 150.87 46.28 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.857 -0.61 . . . . 15.0 110.573 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.9 60.53 4.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.375 0.607 . . . . 15.0 110.672 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.237 -0.887 . . . . 15.0 109.839 -179.661 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.789 0 N-CA-C 112.28 -0.328 . . . . 15.0 112.28 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 6.0 t -146.42 -157.25 0.79 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.6 -0.518 . . . . 15.0 109.6 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 3.6 p -70.95 101.21 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.856 0.836 . . . . 15.0 109.855 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -116.4 15.73 15.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.206 -0.906 . . . . 15.0 110.601 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -59.33 -45.6 90.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.628 -0.715 . . . . 15.0 110.717 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -97.74 53.37 1.11 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.019 -0.537 . . . . 15.0 109.786 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -39.69 85.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.586 -0.734 . . . . 15.0 111.948 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.529 ' O ' ' HG ' ' B' ' 112' ' ' LEU . . . -74.2 -43.8 55.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.74 0.305 . . . . 15.0 110.53 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.07 -49.7 76.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.955 -0.566 . . . . 15.0 110.707 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.62 -38.28 90.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.829 -0.623 . . . . 15.0 111.146 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.56 -52.44 65.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.938 0.399 . . . . 15.0 110.605 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' B' ' 108' ' ' ALA . 41.7 mt -61.68 -43.96 97.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.83 -0.623 . . . . 15.0 111.076 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -64.12 -44.42 92.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.089 -0.505 . . . . 15.0 111.163 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -66.01 -47.64 73.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.714 -0.221 . . . . 15.0 111.241 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 36.7 tp -60.42 -44.14 96.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.76 0.314 . . . . 15.0 110.808 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -65.96 -46.57 77.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.029 -0.532 . . . . 15.0 110.653 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -62.52 -49.01 77.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.989 -0.551 . . . . 15.0 111.553 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.73 -34.18 75.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 15.0 111.804 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.6 -32.09 60.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.428 0.633 . . . . 15.0 109.956 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -78.38 -17.59 56.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.43 -0.804 . . . . 15.0 111.45 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.34 -24.19 0.45 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.339 0.866 . . . . 15.0 113.339 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -64.21 -59.77 4.02 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.515 0.198 . . . . 15.0 111.204 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -149.01 -31.16 0.24 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.731 0.271 . . . . 15.0 111.731 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.74 -8.71 15.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.376 -0.375 . . . . 15.0 111.594 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 25.1 tp -53.87 -34.05 58.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.386 . . . . 15.0 111.007 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -64.56 -46.49 82.56 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.072 -0.513 . . . . 15.0 110.266 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 52.9 ttp85 -71.98 -33.2 67.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.271 -0.422 . . . . 15.0 110.233 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -60.48 -39.52 87.98 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 108.342 -0.985 . . . . 15.0 108.342 178.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.437 ' HB2' ' HE3' ' B' ' 129' ' ' LYS . 17.8 ttmt -60.97 -47.05 88.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.486 -1.234 . . . . 15.0 110.019 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 1.4 m -68.98 -30.3 68.68 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.571 -0.74 . . . . 15.0 110.784 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -69.41 -45.68 68.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 15.0 110.071 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -33.4 68.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.936 -0.575 . . . . 15.0 110.151 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.6 -46.34 89.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.169 -0.923 . . . . 15.0 111.413 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . 0.621 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 32.7 t70 -84.54 -35.93 22.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.163 -0.471 . . . . 15.0 112.132 -178.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -62.65 -24.42 67.6 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.225 0.454 . . . . 15.0 112.225 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . 0.403 ' OD1' ' HD2' ' A' ' 76' ' ' ARG . 2.1 t70 -63.82 -44.75 92.29 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.173 0.434 . . . . 15.0 112.173 -178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . 0.621 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 8.2 ptpt -63.24 -30.92 71.97 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.899 0.381 . . . . 15.0 110.354 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -79.12 -36.43 40.62 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.506 -0.553 . . . . 15.0 109.506 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.17 -42.92 95.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.47 -0.786 . . . . 15.0 110.034 179.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.17 93.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.107 -0.497 . . . . 15.0 110.592 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -68.15 -28.44 67.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.792 -0.64 . . . . 15.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' B' ' 142' ' ' ARG . 13.1 ttp180 -87.45 -55.0 3.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.097 -0.501 . . . . 15.0 111.585 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . 0.435 ' HA ' ' HB3' ' B' ' 146' ' ' GLU . 42.1 mmtm -56.89 -27.44 60.67 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.532 0.567 . . . . 15.0 112.532 -178.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -52.81 -47.98 67.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 15.0 110.632 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -91.2 -41.59 10.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 15.0 111.035 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 146' ' ' GLU . . . . . 0.435 ' HB3' ' HA ' ' B' ' 143' ' ' LYS . 28.7 tt0 -55.59 -53.7 53.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.671 -0.695 . . . . 15.0 112.336 -178.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -70.62 -26.09 63.33 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.115 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -69.85 -46.95 64.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.113 -0.494 . . . . 15.0 110.256 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 38.7 tp -67.18 -44.25 80.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.348 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -77.35 97.71 4.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.919 0.39 . . . . 15.0 110.709 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 151' ' ' ASP . . . . . 0.401 ' OD2' ' HD1' ' B' ' 152' ' ' TYR . 8.4 p-10 -77.4 -26.1 51.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.261 -0.427 . . . . 15.0 110.995 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . 0.401 ' HD1' ' OD2' ' B' ' 151' ' ' ASP . 3.1 m-85 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.396 -0.812 . . . . 15.0 110.386 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 121.031 0.443 . . . . 15.0 110.443 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.1 m -137.46 172.52 14.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.919 -0.582 . . . . 15.0 110.037 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -85.03 -32.14 23.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.933 0.396 . . . . 15.0 110.451 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -80.62 84.21 6.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.908 -0.587 . . . . 15.0 111.429 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.75 130.45 46.79 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.002 -0.545 . . . . 15.0 110.455 179.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -130.09 128.03 41.05 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.467 -0.333 . . . . 15.0 110.271 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -163.38 161.03 24.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.394 . . . . 15.0 110.514 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.404 ' HB3' ' SG ' ' A' ' 85' ' ' CYS . 57.1 m -143.56 135.13 26.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.343 -0.389 . . . . 15.0 110.446 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.2 mmt -113.94 160.43 18.82 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.868 0.366 . . . . 15.0 111.176 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -81.49 96.76 7.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.659 -0.7 . . . . 15.0 112.028 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 44.04 -109.41 0.25 Allowed Glycine 0 C--N 1.332 0.313 0 CA-C-N 115.092 -0.958 . . . . 15.0 114.912 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.428 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 71.4 m -68.96 -26.45 65.06 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.417 0.525 . . . . 15.0 112.417 -178.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.86 52.8 50.12 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.517 -0.849 . . . . 15.0 111.681 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -67.8 -17.43 64.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.051 0.453 . . . . 15.0 111.018 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -109.01 24.27 13.37 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.293 0.568 . . . . 15.0 109.763 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -69.53 109.14 4.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.762 -0.653 . . . . 15.0 110.099 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.462 ' HA ' ' NH2' ' A' ' 58' ' ' ARG . 26.6 t0 -113.78 32.46 5.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.397 0.618 . . . . 15.0 109.997 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.87 144.05 28.39 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.52 -0.764 . . . . 15.0 111.733 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -80.06 105.81 11.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.402 0.62 . . . . 15.0 111.022 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.9 tt -158.0 131.52 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.209 -0.905 . . . . 15.0 109.557 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.94 32.99 5.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.023 0.439 . . . . 15.0 110.734 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -137.1 147.22 45.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.069 -0.514 . . . . 15.0 110.516 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.407 HG21 ' HB2' ' A' ' 78' ' ' GLU . 3.3 p -88.95 177.8 6.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.074 -0.512 . . . . 15.0 110.376 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -70.04 -15.33 62.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 15.0 110.217 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.5 m -88.24 2.23 52.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 15.0 110.69 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.7 24.11 75.24 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 120.946 -0.645 . . . . 15.0 112.596 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.2 mt -96.89 163.49 12.95 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.144 -0.317 . . . . 15.0 110.144 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -88.51 141.31 28.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.05 0.452 . . . . 15.0 111.106 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.572 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 43.0 t -91.38 140.31 29.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.737 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -86.04 147.67 26.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.557 -0.747 . . . . 15.0 109.495 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.23 139.37 50.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.82 0.343 . . . . 15.0 110.145 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -65.17 -23.02 66.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.754 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -101.84 13.84 33.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.19 -0.459 . . . . 15.0 111.29 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -81.2 168.77 18.15 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.624 0.249 . . . . 15.0 110.83 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 35' ' ' GLN . 1.4 mm-40 -118.12 22.47 12.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.395 -0.366 . . . . 15.0 111.845 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.41 133.33 94.39 Favored Pre-proline 0 N--CA 1.45 -0.442 0 N-CA-C 105.974 -1.862 . . . . 15.0 105.974 177.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.31 101.06 1.2 Allowed 'Trans proline' 0 N--CA 1.455 -0.748 0 CA-C-N 119.584 0.887 . . . . 15.0 114.153 -175.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.459 ' CD2' ' HG2' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -122.57 162.91 20.94 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 113.931 -1.486 . . . . 15.0 108.348 175.22 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.19 111.83 23.59 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.536 -0.913 . . . . 15.0 108.536 176.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -171.5 -178.97 2.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.821 0.343 . . . . 15.0 111.055 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.83 25.05 0.73 Allowed Glycine 0 N--CA 1.452 -0.299 0 N-CA-C 111.418 -0.673 . . . . 15.0 111.418 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.415 ' CE2' ' HG3' ' B' ' 129' ' ' LYS . 14.6 m-85 -97.93 109.18 21.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.04 0.447 . . . . 15.0 110.559 -179.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.8 mm -112.02 135.52 21.27 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 115.662 -0.699 . . . . 15.0 109.275 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -50.14 -34.03 37.66 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.934 2.423 . . . . 15.0 113.542 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.59 -16.47 64.19 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.908 0.385 . . . . 15.0 111.455 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -94.06 -11.94 29.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.434 -0.348 . . . . 15.0 110.503 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -134.73 61.96 51.07 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.15 -0.477 . . . . 15.0 110.972 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -73.31 -24.25 16.85 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 121.92 1.747 . . . . 15.0 112.147 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -80.43 -21.74 41.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.664 -0.698 . . . . 15.0 111.099 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt -87.45 0.91 54.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.881 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.1 t30 55.43 53.09 10.28 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.656 -0.702 . . . . 15.0 111.63 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 mp -83.81 110.44 18.35 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.198 -0.667 . . . . 15.0 109.198 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -147.66 150.25 34.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.444 -0.344 . . . . 15.0 110.52 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt 54.76 -136.16 1.33 Allowed 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.739 0.65 . . . . 15.0 111.594 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -127.21 35.07 4.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.512 0.672 . . . . 15.0 109.81 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -83.58 147.34 27.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.543 -0.753 . . . . 15.0 110.499 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 14.8 t -61.62 126.66 28.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.934 -0.575 . . . . 15.0 110.016 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.462 ' NH2' ' HA ' ' A' ' 17' ' ' ASP . 2.2 mmp_? -133.2 165.15 25.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.133 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -136.78 81.93 33.24 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 121.136 0.493 . . . . 15.0 110.125 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -85.52 6.33 5.67 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.578 2.185 . . . . 15.0 112.835 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -110.88 -13.97 14.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.623 0.249 . . . . 15.0 111.227 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 63.45 36.07 11.61 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.005 -0.543 . . . . 15.0 110.774 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.58 -171.74 2.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 15.0 110.907 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.1 mp -51.78 -46.55 64.21 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.182 0.808 . . . . 15.0 113.182 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.408 ' NH2' ' HA ' ' A' ' 81' ' ' ASP . 2.4 ptm180 -152.92 146.41 18.03 Favored Pre-proline 0 N--CA 1.465 0.308 0 C-N-CA 121.019 -0.272 . . . . 15.0 111.597 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 12' ' ' SER . 61.0 Cg_exo -51.37 142.35 37.95 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.196 2.597 . . . . 15.0 113.909 -179.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 18.7 p-90 -130.88 176.87 7.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.788 -1.097 . . . . 15.0 109.472 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.572 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -161.93 149.03 14.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.795 0.331 . . . . 15.0 110.995 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -74.4 134.98 42.4 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.4 -0.593 . . . . 15.0 109.4 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.54 174.95 6.86 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 120.652 0.263 . . . . 15.0 110.808 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.14 17.19 23.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.21 0.529 . . . . 15.0 110.384 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.45 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.8 OUTLIER -95.32 134.68 24.09 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.546 -0.752 . . . . 15.0 110.23 -179.691 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 17.0 Cg_exo -66.13 -27.74 49.13 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.368 2.045 . . . . 15.0 112.678 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -87.67 -8.32 56.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.196 -0.456 . . . . 15.0 111.812 -178.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -141.36 108.55 5.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.79 0.329 . . . . 15.0 110.383 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.459 ' HG2' ' CD2' ' A' ' 38' ' ' HIS . 26.6 mtm-85 -67.05 -49.84 63.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.093 -0.503 . . . . 15.0 111.309 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.2 p-90 -147.68 159.49 43.73 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.011 -0.54 . . . . 15.0 109.976 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.407 ' HB2' HG21 ' A' ' 23' ' ' THR . 27.7 mm-40 -145.93 173.36 12.21 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.146 -0.316 . . . . 15.0 110.146 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -95.36 161.76 13.95 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.149 0.499 . . . . 15.0 111.289 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 6.9 t -117.39 160.38 21.25 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.117 -0.697 . . . . 15.0 109.117 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.408 ' HA ' ' NH2' ' A' ' 65' ' ' ARG . 38.0 t70 -111.51 110.74 21.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.033 0.444 . . . . 15.0 111.253 -179.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.8 mt -124.37 130.18 24.42 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.787 -0.642 . . . . 15.0 109.933 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.94 123.57 12.85 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.672 2.248 . . . . 15.0 112.07 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -104.01 159.57 15.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.222 -0.445 . . . . 15.0 111.02 -178.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 55.7 m -73.62 165.43 25.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.078 -0.51 . . . . 15.0 110.275 178.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.26 8.31 24.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.883 0.373 . . . . 15.0 111.159 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.497 -0.763 . . . . 15.0 110.784 -179.85 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 112.154 -0.378 . . . . 15.0 112.154 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 4.1 t -149.12 -153.04 0.47 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.091 -0.707 . . . . 15.0 109.091 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.428 HG13 ' O ' ' B' ' 103' ' ' VAL . 7.0 p -77.0 81.0 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-O 122.323 1.059 . . . . 15.0 110.361 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -92.35 -2.22 56.52 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.478 -0.783 . . . . 15.0 111.134 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -62.37 -42.25 99.26 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.154 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -87.26 50.38 2.0 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.716 -0.475 . . . . 15.0 109.716 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.49 -46.23 76.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.365 -0.834 . . . . 15.0 112.302 -178.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.464 ' O ' ' HG ' ' B' ' 112' ' ' LEU . . . -81.67 -44.55 16.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.876 0.324 . . . . 15.0 111.876 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.27 -48.69 79.64 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.438 -0.347 . . . . 15.0 111.793 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.71 78.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 15.0 110.762 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.44 -50.95 67.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 15.0 110.763 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 108' ' ' ALA . 83.0 mt -58.54 -42.69 88.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 15.0 110.946 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -68.36 -42.76 78.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 15.0 111.147 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 38.5 ttm-85 -66.84 -46.98 73.36 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.107 0.254 . . . . 15.0 110.61 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 18.5 tp -55.65 -48.8 74.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.896 -0.593 . . . . 15.0 110.442 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -63.37 -45.87 89.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.455 -0.793 . . . . 15.0 110.614 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -62.27 -41.37 98.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.501 . . . . 15.0 111.474 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -66.79 -33.63 76.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.959 0.409 . . . . 15.0 110.947 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -79.08 -38.55 36.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.134 0.492 . . . . 15.0 110.389 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.86 -18.34 62.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.875 -0.602 . . . . 15.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -52.36 -24.98 8.58 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.761 -0.654 . . . . 15.0 112.168 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -59.3 -71.32 0.12 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.676 0.274 . . . . 15.0 111.114 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -149.35 16.66 0.92 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 15.0 111.807 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -111.33 3.31 18.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.927 0.394 . . . . 15.0 110.033 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 29.6 tp -60.04 -39.06 84.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.716 -0.674 . . . . 15.0 111.441 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -61.52 -43.99 97.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.174 -0.466 . . . . 15.0 110.803 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 24.2 ttp85 -77.0 -36.86 56.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.39 -0.368 . . . . 15.0 110.717 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -58.53 -36.26 73.58 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.539 -0.541 . . . . 15.0 109.539 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.415 ' HG3' ' CE2' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -58.57 -52.91 63.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.459 -0.791 . . . . 15.0 110.279 179.262 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' B' ' 133' ' ' HIS . 6.2 m -67.89 -29.84 69.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.788 -0.642 . . . . 15.0 111.074 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -70.04 -42.65 72.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.819 -0.437 . . . . 15.0 109.819 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -32.26 66.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.065 -0.516 . . . . 15.0 110.179 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' B' ' 130' ' ' SER . 0.8 OUTLIER -60.17 -52.55 64.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.373 -0.83 . . . . 15.0 111.142 179.358 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . 0.577 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 0.7 OUTLIER -79.04 -26.07 43.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.053 -0.521 . . . . 15.0 111.903 -178.381 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -73.44 -30.1 62.99 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 121.143 -0.223 . . . . 15.0 111.502 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -68.81 -40.59 79.48 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.02 0.378 . . . . 15.0 112.02 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 13.9 ptpt -64.41 -29.08 70.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.19 0.519 . . . . 15.0 110.072 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -73.7 -32.58 64.0 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.154 -0.684 . . . . 15.0 109.154 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -68.15 -24.37 64.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.399 -0.819 . . . . 15.0 110.61 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -59.9 -56.46 21.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.384 -0.371 . . . . 15.0 111.104 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.13 -27.18 60.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.309 -0.405 . . . . 15.0 111.219 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 42.7 ttp85 -71.98 -55.59 7.17 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.921 -0.312 . . . . 15.0 110.598 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -62.08 -32.02 72.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.381 -0.372 . . . . 15.0 111.997 -179.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.01 -45.63 71.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 15.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -90.36 -38.32 13.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.1 -0.5 . . . . 15.0 111.182 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.13 -51.92 67.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.921 -0.581 . . . . 15.0 112.442 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.92 -30.66 70.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.733 0.302 . . . . 15.0 111.122 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -71.77 -23.09 61.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.398 0.618 . . . . 15.0 110.054 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 24.4 tp -91.35 -54.47 3.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.747 -0.661 . . . . 15.0 109.883 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -93.6 79.74 4.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.778 -0.647 . . . . 15.0 110.294 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -73.07 -16.55 61.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.858 -0.61 . . . . 15.0 111.274 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 . . . . . 0 C--O 1.245 0.819 0 CA-C-O 118.282 -0.866 . . . . 15.0 110.195 178.952 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 120.882 0.372 . . . . 15.0 110.204 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.8 m -112.32 164.76 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.118 -0.492 . . . . 15.0 110.793 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -87.05 12.94 10.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.068 0.461 . . . . 15.0 110.945 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -104.08 72.87 1.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.955 -0.566 . . . . 15.0 109.829 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.67 113.96 27.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.593 -0.731 . . . . 15.0 111.304 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -116.83 114.43 23.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.377 -0.374 . . . . 15.0 110.361 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -158.53 175.25 13.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.329 -0.396 . . . . 15.0 111.114 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.3 m -149.35 144.13 26.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.119 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.1 mmt -113.42 166.36 11.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.502 -0.317 . . . . 15.0 110.311 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -88.25 97.69 11.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.101 0.408 . . . . 15.0 112.101 -178.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 50.85 -117.39 5.29 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.331 -0.85 . . . . 15.0 114.147 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.523 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -64.86 -24.87 67.67 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.475 0.31 . . . . 15.0 111.774 -179.206 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.02 49.09 49.96 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.643 -0.789 . . . . 15.0 112.071 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -65.04 -29.27 70.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.387 0.613 . . . . 15.0 110.31 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -94.47 26.92 3.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.62 -0.718 . . . . 15.0 110.656 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -74.68 109.66 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.701 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -113.28 18.9 17.5 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.688 -0.856 . . . . 15.0 108.688 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.6 155.44 33.11 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.253 -0.885 . . . . 15.0 112.669 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -96.33 106.03 18.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.027 0.442 . . . . 15.0 110.791 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.9 tt -159.07 129.82 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.92 -0.582 . . . . 15.0 109.75 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.1 21.9 12.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.17 -0.468 . . . . 15.0 111.222 -179.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -131.95 146.39 52.06 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.368 -0.378 . . . . 15.0 110.306 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.4 p -87.17 179.68 6.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -65.24 -22.49 66.88 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.876 0.37 . . . . 15.0 111.377 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 m -88.23 2.94 51.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.302 -0.408 . . . . 15.0 111.075 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.77 20.02 79.67 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.924 -0.655 . . . . 15.0 112.781 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.5 mt -91.92 150.71 20.88 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.642 -0.328 . . . . 15.0 110.296 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -71.91 138.82 48.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.121 -0.49 . . . . 15.0 111.508 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.596 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 8.0 t -95.01 138.91 32.11 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.78 -0.646 . . . . 15.0 110.43 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -83.43 149.25 26.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.989 -0.55 . . . . 15.0 109.851 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.559 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -73.39 139.8 46.16 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.28 -0.267 . . . . 15.0 110.28 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -66.63 -26.43 67.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.216 0.531 . . . . 15.0 110.758 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.01 -0.05 57.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.008 -0.542 . . . . 15.0 111.235 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.559 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 24.9 t -80.31 162.44 24.56 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.832 -0.803 . . . . 15.0 108.832 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -124.71 36.64 4.56 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.669 -0.412 . . . . 15.0 111.405 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.07 140.2 95.77 Favored Pre-proline 0 N--CA 1.453 -0.308 0 N-CA-C 105.66 -1.978 . . . . 15.0 105.66 176.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -71.64 98.6 0.88 Allowed 'Trans proline' 0 N--CA 1.456 -0.695 0 CA-C-N 120.416 1.184 . . . . 15.0 113.998 -175.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -124.04 164.16 19.96 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 113.214 -1.812 . . . . 15.0 107.827 175.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.62 112.39 21.55 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 107.889 -1.152 . . . . 15.0 107.889 176.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -171.39 179.2 3.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.478 0.656 . . . . 15.0 112.151 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -155.18 24.98 0.6 Allowed Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 109.848 -1.301 . . . . 15.0 109.848 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -90.3 113.01 24.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.993 -0.604 . . . . 15.0 111.74 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.3 mm -119.46 132.23 24.08 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 108.82 -0.808 . . . . 15.0 108.82 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -48.97 -32.71 23.93 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.199 2.599 . . . . 15.0 113.685 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -20.84 65.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.807 0.336 . . . . 15.0 111.609 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.408 ' C ' ' HD3' ' A' ' 48' ' ' PRO . 47.0 mtpt -88.46 -20.42 25.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.043 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.443 ' N ' ' HD3' ' A' ' 48' ' ' PRO . 8.3 m-85 -132.09 61.74 59.55 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.649 -0.251 . . . . 15.0 111.52 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 47' ' ' PHE . 4.4 Cg_exo -79.1 -21.19 9.5 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.443 2.095 . . . . 15.0 111.74 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -79.3 -11.74 59.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.6 -0.727 . . . . 15.0 111.081 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -106.05 9.73 32.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.964 0.411 . . . . 15.0 110.431 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.6 t30 51.3 60.75 3.64 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.318 -0.855 . . . . 15.0 111.501 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 tp -84.45 109.98 18.3 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.883 -0.784 . . . . 15.0 108.883 178.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -149.06 146.79 27.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.313 -0.403 . . . . 15.0 111.05 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 50.48 -138.94 0.95 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.636 -0.711 . . . . 15.0 111.714 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.3 p-10 -116.78 43.69 2.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.454 0.645 . . . . 15.0 110.799 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -88.56 141.06 28.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.633 -0.712 . . . . 15.0 110.728 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.8 t -67.52 129.78 40.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.039 -0.528 . . . . 15.0 109.632 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 mmt85 -138.87 167.25 22.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.687 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -127.68 86.05 59.3 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 109.722 -0.473 . . . . 15.0 109.722 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -87.99 -0.52 7.08 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.682 2.255 . . . . 15.0 113.637 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -107.97 -13.0 15.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.852 0.358 . . . . 15.0 110.728 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 67.08 33.85 5.42 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 109.275 -0.639 . . . . 15.0 109.275 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.39 -170.86 2.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.161 -0.927 . . . . 15.0 111.058 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 12' ' ' SER . 24.2 mt -49.42 -47.81 47.69 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 113.153 0.797 . . . . 15.0 113.153 -178.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -159.45 150.68 16.32 Favored Pre-proline 0 C--N 1.33 -0.281 0 C-N-CA 120.863 -0.335 . . . . 15.0 111.535 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.523 ' HD3' ' O ' ' A' ' 12' ' ' SER . 81.0 Cg_exo -47.64 140.8 16.38 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.319 2.679 . . . . 15.0 113.686 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 -137.53 175.79 9.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.012 -0.995 . . . . 15.0 109.834 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.596 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 1.1 p -164.28 159.98 20.52 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.638 0.256 . . . . 15.0 110.874 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -79.68 148.61 31.52 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.652 -0.499 . . . . 15.0 109.652 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.69 179.54 5.33 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.494 -0.321 . . . . 15.0 111.376 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.6 6.19 19.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.482 0.658 . . . . 15.0 110.534 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -106.15 122.62 41.64 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.586 -0.734 . . . . 15.0 109.507 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.78 -21.65 26.46 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.007 2.471 . . . . 15.0 113.653 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -79.48 -11.64 59.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.619 -0.264 . . . . 15.0 111.483 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.6 tptp -133.95 123.67 25.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.145 0.497 . . . . 15.0 110.409 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.07 -63.08 1.39 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.108 -0.496 . . . . 15.0 111.303 -178.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -147.24 150.85 35.65 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.51 -0.552 . . . . 15.0 109.51 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -135.47 163.36 30.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.267 0.555 . . . . 15.0 111.668 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -88.29 161.75 16.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.061 -0.972 . . . . 15.0 111.928 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.3 t -119.48 137.7 53.62 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.655 -0.869 . . . . 15.0 108.655 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -97.92 107.76 20.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.985 0.421 . . . . 15.0 111.144 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.6 mt -123.54 128.34 25.24 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.758 -0.656 . . . . 15.0 110.254 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.63 127.4 23.52 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.891 2.394 . . . . 15.0 113.04 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.95 168.09 9.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.774 -0.648 . . . . 15.0 110.418 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 23.0 m -76.59 150.16 36.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.672 0.272 . . . . 15.0 110.744 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.86 -22.16 46.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.114 -0.494 . . . . 15.0 111.578 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.649 -0.691 . . . . 15.0 110.984 -179.581 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 111.771 -0.532 . . . . 15.0 111.771 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 14.3 t -123.65 -167.68 1.66 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.412 -0.588 . . . . 15.0 109.412 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 2.8 p -72.05 88.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 122.265 1.031 . . . . 15.0 109.793 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -105.74 39.92 1.67 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.952 -1.022 . . . . 15.0 111.05 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -58.68 -45.7 88.85 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.7 -0.682 . . . . 15.0 110.984 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -84.16 62.56 7.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.269 -0.423 . . . . 15.0 110.148 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.455 ' O ' ' HB2' ' B' ' 111' ' ' GLU . 0.2 OUTLIER -66.27 -58.76 4.67 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.022 -0.535 . . . . 15.0 111.848 -179.088 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.35 -35.17 31.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.446 -0.343 . . . . 15.0 111.867 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.28 -49.84 75.44 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.136 -0.484 . . . . 15.0 111.748 -178.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.24 -25.89 58.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.717 0.294 . . . . 15.0 111.048 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' B' ' 107' ' ' THR . 38.8 tt0 -56.87 -50.19 73.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.011 -0.541 . . . . 15.0 110.683 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 42.4 mt -68.51 -39.32 81.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.806 -0.633 . . . . 15.0 110.62 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -62.11 -51.1 69.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.118 -0.492 . . . . 15.0 111.182 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -62.81 -42.84 99.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.715 -0.221 . . . . 15.0 110.654 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 14.4 tp -56.84 -50.94 70.91 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.16 -0.473 . . . . 15.0 110.308 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -65.74 -42.49 90.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.797 -0.638 . . . . 15.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -60.42 -39.84 88.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.525 -0.307 . . . . 15.0 111.091 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -67.08 -40.1 86.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.637 -0.256 . . . . 15.0 110.695 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.2 -37.95 69.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.175 0.512 . . . . 15.0 110.612 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.92 -19.0 60.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.259 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -58.5 -17.12 18.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 15.0 111.803 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -69.34 -56.0 8.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.543 -0.299 . . . . 15.0 111.076 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -153.54 -25.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.36 0.504 . . . . 15.0 112.36 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -80.91 15.83 1.67 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.729 0.3 . . . . 15.0 111.58 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 15.8 tp -65.0 -27.94 69.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.882 0.372 . . . . 15.0 110.587 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.492 ' HA ' ' HE3' ' B' ' 129' ' ' LYS . 62.5 mm-40 -66.33 -44.31 83.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.354 0.597 . . . . 15.0 109.598 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 66.8 ttp85 -70.32 -32.49 70.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.671 -0.695 . . . . 15.0 109.885 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.79 -39.93 93.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.481 -0.782 . . . . 15.0 110.038 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.492 ' HE3' ' HA ' ' B' ' 126' ' ' GLU . 21.5 mtmt -62.39 -55.91 23.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 15.0 110.868 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 14.7 m -60.6 -36.3 78.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.916 -0.584 . . . . 15.0 111.51 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -66.47 -36.94 84.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.419 -0.355 . . . . 15.0 110.669 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -30.55 69.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 15.0 110.826 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.3 -47.77 69.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.743 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . 0.596 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 18.2 t70 -73.19 -39.42 65.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.143 -0.481 . . . . 15.0 111.368 -178.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -62.98 -32.19 73.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.524 -0.307 . . . . 15.0 111.352 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.43 -46.74 78.74 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.921 0.341 . . . . 15.0 111.921 -178.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 6.3 ptpt -63.91 -27.9 69.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.759 0.314 . . . . 15.0 110.76 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -80.4 -34.75 36.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.246 0.546 . . . . 15.0 109.957 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -65.29 -41.09 94.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.539 -0.755 . . . . 15.0 110.891 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.55 -27.88 68.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.336 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.79 -35.98 62.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 15.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' B' ' 142' ' ' ARG . 15.7 ttp85 -82.54 -48.15 11.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.35 -0.386 . . . . 15.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -57.82 -27.09 62.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.995 -0.548 . . . . 15.0 112.308 -178.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -58.88 -45.04 91.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.865 0.364 . . . . 15.0 110.949 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.23 -34.64 15.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.253 -0.43 . . . . 15.0 110.841 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -59.35 -53.56 56.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.708 -0.678 . . . . 15.0 111.869 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.45 -20.89 62.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.253 0.549 . . . . 15.0 111.123 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -77.65 -34.53 53.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.847 -0.615 . . . . 15.0 110.392 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 11.8 tp -85.21 -45.37 12.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.942 -0.572 . . . . 15.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -112.74 107.72 16.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.262 -0.426 . . . . 15.0 110.599 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -69.37 -31.79 70.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 15.0 110.895 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.325 -0.845 . . . . 15.0 110.096 179.334 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 120.836 0.351 . . . . 15.0 110.299 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.8 m -124.55 165.37 21.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.657 -0.497 . . . . 15.0 109.657 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -78.95 -27.71 43.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.873 0.368 . . . . 15.0 110.805 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -100.15 96.58 7.59 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.121 0.486 . . . . 15.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -100.38 142.55 31.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.005 -0.543 . . . . 15.0 110.004 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -134.32 111.29 10.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.857 0.361 . . . . 15.0 111.076 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -152.01 167.07 29.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.237 -0.438 . . . . 15.0 110.647 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 69.6 m -147.8 139.69 24.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.469 . . . . 15.0 110.093 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 19.1 mmt -115.02 161.86 17.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.931 0.396 . . . . 15.0 111.321 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -77.79 97.03 5.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.726 -0.67 . . . . 15.0 111.517 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 46.73 -112.71 0.96 Allowed Glycine 0 C--N 1.333 0.391 0 CA-C-N 115.913 -0.585 . . . . 15.0 114.123 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.565 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -66.64 -29.89 70.03 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.096 0.406 . . . . 15.0 112.096 -178.844 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.6 59.47 8.18 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.925 -0.655 . . . . 15.0 112.098 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -35.37 71.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.033 0.444 . . . . 15.0 110.303 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -87.79 27.38 1.16 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.83 -0.623 . . . . 15.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -74.38 117.03 15.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.808 -0.633 . . . . 15.0 110.311 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -125.9 32.25 5.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.332 0.587 . . . . 15.0 110.007 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.81 161.64 54.28 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.451 -0.795 . . . . 15.0 112.275 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -90.21 104.99 17.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.044 0.449 . . . . 15.0 110.894 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 tt -159.22 128.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.703 -0.68 . . . . 15.0 109.923 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.32 25.48 6.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.883 -0.598 . . . . 15.0 110.58 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -131.9 152.85 50.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.852 -0.613 . . . . 15.0 110.266 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.7 p -92.04 175.62 6.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.302 -0.408 . . . . 15.0 110.919 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -67.04 -19.01 65.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.657 0.265 . . . . 15.0 111.076 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -88.96 -0.99 57.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.86 0.362 . . . . 15.0 110.964 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.83 21.38 66.12 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.879 -0.677 . . . . 15.0 112.558 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.3 mt -96.28 155.18 16.87 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.317 -0.253 . . . . 15.0 110.317 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -74.26 141.98 45.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.138 0.494 . . . . 15.0 111.16 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.636 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 36.9 t -91.41 138.57 31.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.771 -0.649 . . . . 15.0 110.792 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -85.14 146.16 27.26 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.071 -0.714 . . . . 15.0 109.071 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -71.74 142.97 49.76 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 121.122 -0.231 . . . . 15.0 110.466 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -66.02 -24.48 66.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.069 0.461 . . . . 15.0 110.882 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -104.07 13.79 31.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.062 -0.517 . . . . 15.0 110.959 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.504 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 30.5 t -70.47 166.6 20.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 15.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -122.78 17.38 10.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.903 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.0 m -66.32 144.48 98.72 Favored Pre-proline 0 C--O 1.235 0.319 0 N-CA-C 105.895 -1.891 . . . . 15.0 105.895 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.412 ' CG ' ' HB3' ' B' ' 102' ' ' SER . 2.9 Cg_endo -76.25 98.9 1.23 Allowed 'Trans proline' 0 N--CA 1.448 -1.175 0 CA-C-N 120.091 1.068 . . . . 15.0 114.285 -174.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.442 ' NE2' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -124.35 164.08 20.38 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 113.443 -1.708 . . . . 15.0 108.181 174.445 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.56 112.53 24.92 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 119.457 -0.897 . . . . 15.0 109.267 177.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -170.6 -177.5 2.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.669 0.271 . . . . 15.0 111.265 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.51 35.25 0.75 Allowed Glycine 0 C--N 1.33 0.236 0 C-N-CA 121.033 -0.603 . . . . 15.0 111.828 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -106.77 112.49 25.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.883 0.373 . . . . 15.0 110.805 -179.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.8 mm -116.59 136.56 23.18 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.813 -0.63 . . . . 15.0 109.477 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -50.47 -33.58 38.72 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.821 2.347 . . . . 15.0 112.859 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 m -68.08 -22.63 64.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.356 . . . . 15.0 111.065 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -90.2 -12.69 37.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 15.0 110.469 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -136.49 60.71 33.47 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.42 -11.37 15.86 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.236 1.957 . . . . 15.0 111.666 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.2 p-10 -89.93 -7.47 54.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.436 -0.802 . . . . 15.0 110.566 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -106.94 2.94 25.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 15.0 110.306 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 56.8 t30 53.88 54.91 9.08 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.465 -0.789 . . . . 15.0 111.856 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 mp -84.3 110.08 18.31 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.47 -0.567 . . . . 15.0 109.47 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -142.84 143.61 32.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.55 -0.295 . . . . 15.0 110.812 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 53.16 -136.44 1.37 Allowed 'General case' 0 CA--C 1.532 0.264 0 O-C-N 123.855 0.722 . . . . 15.0 111.762 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -121.43 46.65 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.186 0.517 . . . . 15.0 110.878 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -97.17 145.23 26.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.244 -0.435 . . . . 15.0 110.559 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 41.2 t -63.09 131.26 47.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 15.0 110.549 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -137.56 164.31 29.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 15.0 110.565 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -126.43 81.85 67.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.024 -0.732 . . . . 15.0 109.024 178.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -86.87 -2.44 8.14 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.537 2.158 . . . . 15.0 113.63 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.493 ' OD2' ' HG3' ' B' ' 129' ' ' LYS . 32.2 t70 -107.63 -11.94 15.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.716 0.293 . . . . 15.0 111.609 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' A' ' 62' ' ' ARG . 31.4 mtm105 65.63 32.29 9.28 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.474 -0.565 . . . . 15.0 109.474 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -78.04 -171.95 2.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.637 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.458 ' O ' ' HA ' ' A' ' 12' ' ' SER . 54.9 mt -50.72 -41.94 56.73 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.906 0.706 . . . . 15.0 112.906 -178.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.536 ' HD2' ' O ' ' A' ' 80' ' ' CYS . 17.4 ptt180 -162.87 149.55 10.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.559 0.219 . . . . 15.0 111.372 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.565 ' HD3' ' O ' ' A' ' 12' ' ' SER . 58.5 Cg_exo -50.5 148.5 15.01 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.298 2.665 . . . . 15.0 113.727 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -138.18 177.9 7.53 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.951 -1.022 . . . . 15.0 109.305 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.636 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -160.82 149.77 16.71 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 121.044 -0.263 . . . . 15.0 111.008 179.724 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.548 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 56.6 m-85 -74.78 146.14 42.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 15.0 110.051 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.58 158.95 16.14 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.582 -0.281 . . . . 15.0 110.829 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 p -90.32 -3.51 57.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.248 0.547 . . . . 15.0 110.705 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -76.51 126.56 86.04 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.382 -0.827 . . . . 15.0 110.657 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -62.07 -17.98 59.19 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.763 2.309 . . . . 15.0 113.197 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -94.56 1.41 55.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.321 -0.4 . . . . 15.0 111.828 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.33 119.04 6.11 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.952 -0.299 . . . . 15.0 110.637 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.504 HH22 ' HB3' ' B' ' 139' ' ' GLU . 34.3 mtm-85 -72.41 -43.88 63.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.445 -0.343 . . . . 15.0 110.821 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.548 ' HB3' ' CD1' ' A' ' 69' ' ' PHE . 51.9 p-90 -154.93 163.5 40.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.139 -0.482 . . . . 15.0 110.028 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -139.65 167.16 22.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.878 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -81.96 160.01 23.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.488 -0.778 . . . . 15.0 110.581 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.536 ' O ' ' HD2' ' A' ' 65' ' ' ARG . 7.4 t -119.4 143.26 47.55 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.351 -0.611 . . . . 15.0 109.351 178.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -103.47 108.91 20.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.99 0.424 . . . . 15.0 110.413 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.8 mt -127.98 129.49 23.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.828 -0.624 . . . . 15.0 109.895 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -65.35 126.65 16.66 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.661 2.24 . . . . 15.0 112.234 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.75 155.85 18.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.509 -0.314 . . . . 15.0 110.756 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 55.7 m -69.01 153.92 42.97 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.392 -0.367 . . . . 15.0 110.169 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.63 -26.08 63.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.195 0.521 . . . . 15.0 110.576 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.415 -0.802 . . . . 15.0 109.906 179.643 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 111.847 -0.501 . . . . 15.0 111.847 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . 0.412 ' HB3' ' CG ' ' A' ' 37' ' ' PRO . 19.5 m -126.21 -177.87 4.12 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.915 -0.402 . . . . 15.0 109.915 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 5.2 p -72.58 101.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.778 0.799 . . . . 15.0 109.954 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -109.3 28.89 8.06 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.448 -0.796 . . . . 15.0 110.618 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -64.65 -42.09 95.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.71 -0.677 . . . . 15.0 110.725 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.478 ' HB3' ' HB2' ' B' ' 109' ' ' ASP . 2.6 mm? -96.55 62.98 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.879 -0.6 . . . . 15.0 110.386 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -43.44 98.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.008 -0.542 . . . . 15.0 111.554 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.65 -50.15 73.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.247 -0.433 . . . . 15.0 111.444 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.478 ' HB2' ' HB3' ' B' ' 106' ' ' LEU . 14.2 m-20 -60.55 -43.7 96.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.255 -0.43 . . . . 15.0 111.159 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.13 -48.49 81.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.98 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -62.73 -47.57 82.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 15.0 111.322 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 92.2 mt -58.96 -42.03 88.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.519 -0.31 . . . . 15.0 111.316 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -70.14 -44.9 67.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.208 -0.451 . . . . 15.0 110.19 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -60.17 -47.29 86.57 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.708 -0.678 . . . . 15.0 111.104 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 32.4 tp -62.63 -45.41 92.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 15.0 110.525 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -62.99 -46.68 86.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.867 -0.606 . . . . 15.0 111.109 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -60.98 -38.52 86.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.229 -0.442 . . . . 15.0 110.691 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -66.12 -39.86 90.23 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.013 -0.539 . . . . 15.0 111.084 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.62 -32.24 62.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.032 0.444 . . . . 15.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -81.17 -18.44 46.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.825 -0.625 . . . . 15.0 111.561 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -51.4 -27.43 10.04 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.093 -0.503 . . . . 15.0 112.245 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -58.76 -63.09 1.42 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.545 -0.298 . . . . 15.0 111.367 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -148.9 -29.87 0.27 Allowed 'General case' 0 C--O 1.233 0.229 0 N-CA-C 111.777 0.288 . . . . 15.0 111.777 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.1 -1.47 2.18 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.395 -0.366 . . . . 15.0 111.835 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 14.7 tp -60.32 -23.84 64.52 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.052 0.454 . . . . 15.0 110.291 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.581 ' HA ' ' HE2' ' B' ' 129' ' ' LYS . 32.9 mm-40 -65.4 -43.93 89.09 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.761 -0.654 . . . . 15.0 109.674 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 62.6 ttp85 -81.15 -26.44 36.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.882 -0.599 . . . . 15.0 110.149 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -54.19 -50.5 66.92 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.604 -0.726 . . . . 15.0 111.074 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.581 ' HE2' ' HA ' ' B' ' 126' ' ' GLU . 23.4 pttt -67.76 -37.28 81.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.625 -0.261 . . . . 15.0 111.476 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 1.7 m -67.22 -38.63 85.57 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.387 0.613 . . . . 15.0 110.296 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . 0.427 ' HG2' ' CD2' ' B' ' 135' ' ' HIS . 17.5 tt0 -65.53 -32.67 74.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.619 -0.718 . . . . 15.0 110.002 179.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -43.38 71.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.684 -0.689 . . . . 15.0 110.965 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' HIS . . . . . 0.417 ' O ' ' HE3' ' B' ' 137' ' ' LYS . 51.2 m80 -57.6 -52.75 64.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.061 -0.518 . . . . 15.0 112.235 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.57 -29.03 62.17 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.052 0.39 . . . . 15.0 112.052 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' HIS . . . . . 0.427 ' CD2' ' HG2' ' B' ' 131' ' ' GLU . 1.6 m-70 -77.62 -38.7 47.47 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.335 0.494 . . . . 15.0 112.335 -179.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -62.75 -44.49 96.06 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.879 0.326 . . . . 15.0 111.879 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . 0.417 ' HE3' ' O ' ' B' ' 133' ' ' HIS . 17.3 ptpt -61.84 -25.58 67.61 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.997 0.427 . . . . 15.0 110.669 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -85.59 -42.53 14.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.133 0.492 . . . . 15.0 109.702 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . 0.504 ' HB3' HH22 ' A' ' 76' ' ' ARG . 0.9 OUTLIER -58.68 -40.31 83.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.326 -0.852 . . . . 15.0 110.355 179.615 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.96 -33.36 74.16 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.947 -0.569 . . . . 15.0 111.307 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -72.6 -38.43 67.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.216 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -71.55 -47.74 53.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.829 -0.623 . . . . 15.0 110.41 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . 0.466 ' HE3' ' HG ' ' B' ' 106' ' ' LEU . 36.8 mmtm -61.0 -23.21 65.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.92 -0.582 . . . . 15.0 112.55 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -57.39 -54.2 49.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.979 0.419 . . . . 15.0 110.997 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -89.8 -28.23 19.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.155 -0.475 . . . . 15.0 111.387 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -63.71 -53.96 43.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.701 -0.227 . . . . 15.0 111.586 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -68.96 -26.26 64.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.021 0.439 . . . . 15.0 111.31 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -76.48 -39.28 53.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.234 -0.439 . . . . 15.0 110.543 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 5.3 tp -75.67 -56.62 4.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.064 -0.516 . . . . 15.0 110.39 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -87.83 110.89 20.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.787 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -84.69 -46.06 11.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.129 -0.487 . . . . 15.0 110.166 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.97 -0.538 . . . . 15.0 109.662 178.934 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.999 0.428 . . . . 15.0 110.133 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.9 m -107.19 145.38 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 15.0 111.386 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.4 -30.89 71.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.756 -0.657 . . . . 15.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -96.31 107.73 20.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.061 -0.518 . . . . 15.0 111.236 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.41 143.86 44.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.068 -0.515 . . . . 15.0 110.089 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -141.92 115.66 9.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.681 0.277 . . . . 15.0 110.517 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -164.1 169.06 18.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.939 -0.573 . . . . 15.0 110.003 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.1 m -145.72 144.0 30.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.525 -0.307 . . . . 15.0 110.608 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.1 mmt -115.2 166.13 12.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.749 -0.205 . . . . 15.0 110.52 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -81.17 95.59 6.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.77 0.319 . . . . 15.0 111.171 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 47.56 -109.53 0.46 Allowed Glycine 0 CA--C 1.517 0.198 0 CA-C-N 115.456 -0.793 . . . . 15.0 114.07 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.7 m -71.63 -33.76 69.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.807 0.337 . . . . 15.0 111.24 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.19 61.38 4.28 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.549 -0.834 . . . . 15.0 112.024 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -63.76 -31.84 73.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.4 0.619 . . . . 15.0 110.336 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -96.02 28.39 3.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.285 -0.871 . . . . 15.0 111.029 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -67.16 109.18 2.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.951 0.405 . . . . 15.0 110.644 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -112.26 16.22 20.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.308 0.575 . . . . 15.0 110.141 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.47 145.66 48.92 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.655 -0.702 . . . . 15.0 111.762 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -83.53 105.76 14.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.001 0.429 . . . . 15.0 110.501 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.4 tt -155.88 133.42 2.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.769 -0.65 . . . . 15.0 109.899 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.99 35.82 4.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.209 0.528 . . . . 15.0 110.667 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -133.3 148.8 51.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.953 -0.567 . . . . 15.0 110.664 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.424 HG21 ' HB2' ' A' ' 78' ' ' GLU . 5.6 p -95.47 -175.87 3.6 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.855 -0.611 . . . . 15.0 110.421 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -64.89 -24.2 67.46 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.679 0.276 . . . . 15.0 111.309 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.01 3.34 51.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.971 0.415 . . . . 15.0 110.929 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.26 12.03 84.5 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.797 -0.716 . . . . 15.0 112.376 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.4 mt -73.03 153.74 40.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.854 0.359 . . . . 15.0 110.767 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.65 137.32 56.63 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.567 -0.742 . . . . 15.0 111.674 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.471 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 7.1 t -99.18 130.63 45.5 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.496 -0.774 . . . . 15.0 110.16 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -83.88 147.09 27.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.981 -0.554 . . . . 15.0 110.048 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.567 ' HB3' ' OG ' ' A' ' 34' ' ' SER . . . -72.28 148.88 45.0 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 120.904 0.383 . . . . 15.0 110.507 179.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -70.6 -19.96 62.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.162 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -103.51 12.01 35.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.897 -0.592 . . . . 15.0 111.514 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.567 ' OG ' ' HB3' ' A' ' 31' ' ' ALA . 57.7 m -75.08 142.84 43.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.745 0.307 . . . . 15.0 110.595 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -101.37 19.0 18.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.953 0.406 . . . . 15.0 110.962 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.61 144.27 97.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 N-CA-C 106.655 -1.609 . . . . 15.0 106.655 177.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -70.9 102.6 1.23 Allowed 'Trans proline' 0 N--CA 1.456 -0.684 0 CA-C-N 120.397 1.177 . . . . 15.0 112.663 -177.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -119.69 163.17 17.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.088 -1.415 . . . . 15.0 108.373 176.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.81 111.86 24.75 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.308 -0.997 . . . . 15.0 108.308 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -172.48 -176.46 1.55 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.049 0.452 . . . . 15.0 111.168 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -146.79 33.32 1.4 Allowed Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.577 -0.738 . . . . 15.0 111.513 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -113.03 105.13 13.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.067 0.46 . . . . 15.0 111.584 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.9 mm -106.11 134.75 19.62 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.067 -0.716 . . . . 15.0 109.067 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -51.42 -31.58 39.15 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.043 2.496 . . . . 15.0 113.741 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -75.44 -8.83 57.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.949 0.404 . . . . 15.0 111.621 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -92.95 -22.37 19.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 15.0 110.28 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -134.0 64.55 66.81 Favored Pre-proline 0 C--O 1.235 0.333 0 CA-C-N 116.125 -0.489 . . . . 15.0 110.666 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.44 -10.89 18.98 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.207 1.938 . . . . 15.0 112.223 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -85.19 -20.36 30.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 15.0 111.024 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -92.45 3.19 55.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.064 0.459 . . . . 15.0 110.632 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.6 t30 54.7 60.8 3.29 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 114.987 -1.006 . . . . 15.0 112.11 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.59 109.23 19.5 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.877 -0.786 . . . . 15.0 108.877 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -146.25 144.83 30.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.447 -0.342 . . . . 15.0 110.417 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt 55.08 -146.39 0.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.789 0.681 . . . . 15.0 112.198 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.522 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 29.9 p-10 -113.18 38.15 2.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.034 0.445 . . . . 15.0 111.722 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -90.94 141.68 28.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.242 -0.435 . . . . 15.0 110.354 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 10.6 t -59.14 129.63 43.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.319 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 58' ' ' ARG . 3.1 mmp_? -136.57 169.86 17.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.146 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -142.58 85.22 10.48 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.263 0.554 . . . . 15.0 110.083 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -87.04 -3.89 7.95 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 122.439 2.092 . . . . 15.0 112.377 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.572 ' OD1' ' HB3' ' A' ' 63' ' ' ASP . 24.7 t70 -91.48 -24.81 19.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.251 -0.432 . . . . 15.0 110.779 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.0 mtm105 73.77 25.04 2.04 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.675 -0.693 . . . . 15.0 109.824 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.572 ' HB3' ' OD1' ' A' ' 61' ' ' ASP . 2.3 p-10 -75.65 -171.92 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.749 -0.66 . . . . 15.0 112.149 -179.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.6 mp -56.84 -36.31 69.86 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.403 1.26 . . . . 15.0 114.403 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.429 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 17.4 ptt180 -157.13 148.53 16.91 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 118.648 0.658 . . . . 15.0 112.244 -178.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 65' ' ' ARG . 31.1 Cg_exo -58.67 148.55 81.81 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.966 2.444 . . . . 15.0 112.608 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 18.1 p-90 -144.17 176.53 9.25 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.433 -0.803 . . . . 15.0 110.05 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.471 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -159.77 155.86 26.61 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.208 -0.451 . . . . 15.0 110.191 179.364 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -77.81 135.26 37.93 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.307 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.81 149.45 21.83 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.22 -16.56 45.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.238 -0.437 . . . . 15.0 111.235 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.442 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -64.35 126.93 91.5 Favored Pre-proline 0 C--N 1.332 -0.161 0 CA-C-N 116.024 -0.535 . . . . 15.0 110.694 -179.559 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 35.1 Cg_exo -59.77 -11.64 15.42 Favored 'Trans proline' 0 CA--C 1.535 0.561 0 C-N-CA 123.191 2.594 . . . . 15.0 114.921 -178.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -102.25 -5.07 24.73 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.138 0.421 . . . . 15.0 112.138 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -133.09 132.49 41.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.137 0.494 . . . . 15.0 111.33 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 76' ' ' ARG . 0.9 OUTLIER -84.19 -58.81 2.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.214 0.53 . . . . 15.0 110.083 179.752 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 24.1 p-90 -148.67 145.11 27.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.741 -0.663 . . . . 15.0 109.768 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.424 ' HB2' HG21 ' A' ' 23' ' ' THR . 15.9 mm-40 -128.07 148.46 50.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.316 -0.402 . . . . 15.0 110.247 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -79.12 159.49 27.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.05 -0.523 . . . . 15.0 110.744 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.1 t -121.67 133.42 54.96 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.217 -0.66 . . . . 15.0 109.217 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -96.0 113.86 25.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.825 0.345 . . . . 15.0 110.526 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.0 mt -119.85 129.75 25.19 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.907 -0.588 . . . . 15.0 109.736 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -49.43 123.39 10.23 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.113 2.542 . . . . 15.0 112.809 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -104.98 167.35 9.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.822 -0.626 . . . . 15.0 110.624 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 10.4 m -82.71 157.72 23.19 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.733 -0.469 . . . . 15.0 109.733 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.5 -41.96 68.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.873 0.368 . . . . 15.0 110.361 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.423 -0.799 . . . . 15.0 110.411 179.65 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.828 -0.509 . . . . 15.0 111.828 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.0 t -144.46 -150.66 0.33 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.481 -0.563 . . . . 15.0 109.481 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 4.2 p -74.03 76.92 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 122.414 1.102 . . . . 15.0 110.109 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.28 -8.28 48.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.153 -0.93 . . . . 15.0 111.2 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -60.5 -38.59 84.82 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.164 0.507 . . . . 15.0 110.257 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -85.5 73.5 10.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.688 -0.687 . . . . 15.0 109.269 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.61 -65.72 0.96 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.075 -0.511 . . . . 15.0 111.838 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.61 -49.43 77.53 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.605 0.594 . . . . 15.0 112.605 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -61.68 -45.94 91.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.505 -0.316 . . . . 15.0 111.624 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.37 90.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.577 -0.283 . . . . 15.0 110.98 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -62.0 -53.53 54.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.042 -0.527 . . . . 15.0 110.523 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.66 -43.09 99.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.09 -0.505 . . . . 15.0 111.067 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -63.17 -46.31 87.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 15.0 111.078 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -66.23 -44.51 83.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.502 -0.317 . . . . 15.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 16.9 tp -55.85 -51.22 68.27 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.74 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -65.44 -41.34 93.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.898 -0.592 . . . . 15.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -61.77 -45.66 92.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.453 -0.339 . . . . 15.0 110.812 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -58.89 -38.05 77.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.969 0.414 . . . . 15.0 111.481 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.84 -41.04 53.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.987 0.422 . . . . 15.0 110.577 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.33 -24.95 63.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.913 -0.585 . . . . 15.0 111.843 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -56.46 -17.49 8.36 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.111 0.411 . . . . 15.0 112.111 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -60.84 -65.76 0.64 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 120.711 0.291 . . . . 15.0 110.418 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -145.1 -18.53 0.5 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.708 0.289 . . . . 15.0 111.776 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -84.0 11.95 7.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.699 -0.228 . . . . 15.0 111.116 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 23.9 tp -59.84 -32.8 71.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.877 0.37 . . . . 15.0 111.126 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -65.37 -40.05 93.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 15.0 110.462 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 -82.15 -28.55 32.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.268 -0.424 . . . . 15.0 110.445 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -58.87 -50.38 74.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.911 -0.586 . . . . 15.0 110.718 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' B' ' 130' ' ' SER . 1.0 OUTLIER -62.31 -33.8 75.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 15.0 110.974 -179.057 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . 0.44 ' N ' ' HG2' ' B' ' 129' ' ' LYS . 52.2 m -77.22 -34.57 56.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.931 0.396 . . . . 15.0 110.592 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -46.87 82.26 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.288 -0.634 . . . . 15.0 109.288 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -64.02 -32.81 74.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.426 -0.806 . . . . 15.0 110.364 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.55 -43.3 93.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.062 -0.517 . . . . 15.0 110.702 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . 0.54 ' O ' ' HG2' ' B' ' 137' ' ' LYS . 30.3 t70 -82.29 -27.06 32.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.097 0.475 . . . . 15.0 111.294 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -74.66 -41.99 59.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.091 -0.504 . . . . 15.0 111.311 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . 0.423 ' HA ' ' HB2' ' B' ' 139' ' ' GLU . 0.4 OUTLIER -64.41 -36.08 82.98 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.145 0.424 . . . . 15.0 112.145 -178.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' B' ' 134' ' ' ASP . 7.3 ptpt -65.53 -28.08 68.92 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.109 0.481 . . . . 15.0 110.502 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -85.75 -38.79 17.87 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 108.942 -0.762 . . . . 15.0 108.942 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . 0.423 ' HB2' ' HA ' ' B' ' 136' ' ' ASP . 0.3 OUTLIER -56.95 -33.28 66.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.622 -1.172 . . . . 15.0 110.801 179.294 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.17 -50.41 67.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 15.0 111.411 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.07 -40.86 67.98 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.331 -0.395 . . . . 15.0 110.648 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -59.52 -46.41 88.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.963 0.411 . . . . 15.0 110.368 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -66.05 -30.52 71.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.013 -0.54 . . . . 15.0 111.014 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' B' ' 148' ' ' LYS . . . -58.33 -38.92 78.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.57 -0.287 . . . . 15.0 111.043 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' B' ' 145' ' ' LEU . 2.3 mm? -90.86 -43.68 9.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.888 0.375 . . . . 15.0 111.161 179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -61.21 -55.07 36.38 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.47 0.544 . . . . 15.0 112.47 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.1 -22.0 65.83 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.97 0.414 . . . . 15.0 111.572 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' B' ' 144' ' ' ALA . 76.7 tttt -79.7 -36.73 37.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.219 -0.446 . . . . 15.0 110.961 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 50.1 tp -81.32 -49.2 11.0 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.221 -0.445 . . . . 15.0 110.749 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -85.77 113.9 22.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.129 -0.487 . . . . 15.0 110.023 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -90.17 -9.8 46.84 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.155 -0.475 . . . . 15.0 110.525 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.815 -0.612 . . . . 15.0 109.94 179.246 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 120.695 0.283 . . . . 15.0 110.935 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.4 m -93.9 174.74 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.662 0.267 . . . . 15.0 111.2 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -83.59 -55.09 4.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.857 0.36 . . . . 15.0 110.156 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -72.34 99.88 2.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.869 -0.605 . . . . 15.0 110.592 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 m -118.13 143.56 46.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.807 -0.633 . . . . 15.0 109.833 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -137.11 122.37 19.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.406 -0.361 . . . . 15.0 110.441 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -160.43 157.96 28.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.322 -0.399 . . . . 15.0 110.83 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.3 m -134.99 154.33 51.77 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.102 -0.499 . . . . 15.0 109.794 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 19.6 mmt -114.56 163.11 15.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.654 0.264 . . . . 15.0 110.71 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -85.18 96.96 9.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.099 -0.501 . . . . 15.0 111.58 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.64 -108.74 0.5 Allowed Glycine 0 C--N 1.331 0.286 0 CA-C-N 115.401 -0.818 . . . . 15.0 114.293 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.7 t -72.3 -45.12 61.38 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 122.459 0.304 . . . . 15.0 111.215 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.6 50.17 4.09 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.326 -0.94 . . . . 15.0 111.744 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -66.03 -36.8 84.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.356 0.598 . . . . 15.0 110.052 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -95.82 28.09 3.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.332 -0.849 . . . . 15.0 111.241 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -70.59 108.05 4.17 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.997 0.427 . . . . 15.0 110.197 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -107.66 31.97 5.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.498 0.666 . . . . 15.0 109.297 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.13 160.9 46.74 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.454 -0.794 . . . . 15.0 112.351 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -92.67 111.06 22.52 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.889 0.375 . . . . 15.0 110.467 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 57' ' ' CYS . 14.1 tt -162.05 132.71 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.043 -0.526 . . . . 15.0 109.844 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.96 22.74 4.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.249 -0.432 . . . . 15.0 110.991 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -132.05 135.04 46.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.331 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.41 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 21.8 p -76.95 -175.33 3.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.3 -0.409 . . . . 15.0 111.13 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -62.13 -29.14 70.13 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.724 0.297 . . . . 15.0 111.26 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.36 1.87 53.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.821 0.343 . . . . 15.0 111.014 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.01 15.14 81.53 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.834 -0.698 . . . . 15.0 112.911 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 42.3 mt -78.17 149.79 33.68 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.019 -0.363 . . . . 15.0 110.019 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -74.82 130.9 40.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.159 0.504 . . . . 15.0 111.451 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.697 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 17.3 t -82.92 140.36 32.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.681 -0.691 . . . . 15.0 111.024 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -85.6 145.17 27.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.639 -0.71 . . . . 15.0 109.281 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.744 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -69.54 137.67 52.64 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.097 -0.334 . . . . 15.0 110.097 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -63.27 -23.02 67.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.049 0.452 . . . . 15.0 110.663 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -102.02 6.96 41.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.065 -0.516 . . . . 15.0 111.472 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.744 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 23.8 t -86.19 138.93 31.51 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.9 -0.407 . . . . 15.0 109.9 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -94.0 36.89 1.1 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.023 0.439 . . . . 15.0 111.785 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.1 140.24 95.71 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 105.387 -2.079 . . . . 15.0 105.387 176.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -73.9 99.16 1.13 Allowed 'Trans proline' 0 N--CA 1.452 -0.946 0 CA-C-N 120.732 1.297 . . . . 15.0 113.511 -176.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.35 164.24 18.31 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 113.304 -1.771 . . . . 15.0 108.144 175.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.27 110.93 23.02 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.883 -1.154 . . . . 15.0 107.883 176.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -172.32 -176.29 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.724 0.297 . . . . 15.0 111.118 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -147.6 31.02 1.39 Allowed Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.467 -0.653 . . . . 15.0 111.467 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -94.31 114.52 26.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.937 0.398 . . . . 15.0 110.849 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.451 HG22 ' H ' ' A' ' 45' ' ' SER . 49.5 mm -116.19 131.76 23.62 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.06 -0.718 . . . . 15.0 109.06 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -52.09 -37.55 68.99 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.735 2.29 . . . . 15.0 112.832 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.451 ' H ' HG22 ' A' ' 43' ' ' ILE . 23.5 m -72.51 -14.48 61.66 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.349 -0.387 . . . . 15.0 111.458 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.432 ' HD3' ' HB ' ' A' ' 43' ' ' ILE . 50.5 mtpt -86.21 -23.15 26.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 15.0 110.683 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -132.16 61.54 58.27 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 116.241 -0.436 . . . . 15.0 111.13 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.32 -13.59 20.72 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.129 1.886 . . . . 15.0 111.665 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -82.08 -11.16 58.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.494 -0.775 . . . . 15.0 111.023 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -108.3 9.23 27.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.231 0.539 . . . . 15.0 110.351 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.8 t30 50.9 59.53 4.54 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 114.946 -1.025 . . . . 15.0 112.532 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.6 mp -81.34 111.01 17.32 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.148 -0.686 . . . . 15.0 109.148 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -141.55 133.78 27.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.841 0.353 . . . . 15.0 111.465 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 51.99 -134.19 1.68 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.293 -0.867 . . . . 15.0 111.827 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -115.32 40.92 2.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.426 0.631 . . . . 15.0 110.873 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -91.85 136.93 32.78 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.835 -0.621 . . . . 15.0 110.353 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.443 ' HB3' HG23 ' A' ' 20' ' ' ILE . 45.0 t -63.15 132.42 51.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.921 -0.581 . . . . 15.0 111.048 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -139.72 163.97 31.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.509 -0.769 . . . . 15.0 109.93 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -124.68 82.55 59.63 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 108.441 -0.948 . . . . 15.0 108.441 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.47 -10.75 14.59 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.48 2.12 . . . . 15.0 113.883 -177.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.487 ' OD2' ' HB3' ' B' ' 129' ' ' LYS . 8.0 t70 -110.18 0.97 18.44 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.087 -0.645 . . . . 15.0 112.365 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 56.57 37.51 28.88 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.147 -0.479 . . . . 15.0 111.109 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -80.9 -170.09 2.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.301 -0.409 . . . . 15.0 111.014 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 89.0 mt -50.61 -42.44 56.01 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.537 0.94 . . . . 15.0 113.537 -178.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.452 ' HD3' ' O ' ' A' ' 80' ' ' CYS . 12.0 ptp180 -157.89 148.92 16.41 Favored Pre-proline 0 C--N 1.33 -0.244 0 C-N-CA 120.629 -0.428 . . . . 15.0 111.885 -178.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.431 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 13.9 Cg_endo -57.77 146.06 87.39 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.819 2.346 . . . . 15.0 112.574 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 21.7 p-90 -146.04 -176.04 4.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.472 -0.786 . . . . 15.0 109.618 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.697 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 1.1 p -166.93 155.02 9.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.509 -0.314 . . . . 15.0 110.657 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -73.26 143.63 46.98 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.803 -0.443 . . . . 15.0 109.803 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.93 176.87 6.09 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.489 -0.323 . . . . 15.0 111.598 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.24 5.17 19.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.595 0.712 . . . . 15.0 109.735 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.411 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 1.6 m-20 -84.71 130.25 53.81 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 114.844 -1.071 . . . . 15.0 110.341 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 18.9 Cg_exo -65.22 -13.43 39.72 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.432 2.088 . . . . 15.0 112.734 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -108.37 1.55 21.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.407 -0.361 . . . . 15.0 111.681 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -132.31 114.9 14.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.683 0.278 . . . . 15.0 110.751 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -68.67 -63.73 1.0 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.331 0.586 . . . . 15.0 110.098 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 45.1 p-90 -156.24 146.15 21.19 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.641 -0.709 . . . . 15.0 109.443 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -127.1 159.88 32.86 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.866 0.365 . . . . 15.0 110.641 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -82.67 162.33 21.86 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.723 -0.671 . . . . 15.0 110.656 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.452 ' O ' ' HD3' ' A' ' 65' ' ' ARG . 79.5 m -117.79 149.38 40.89 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.824 -0.806 . . . . 15.0 108.824 178.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -110.89 110.5 21.12 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.986 0.422 . . . . 15.0 111.488 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.2 mt -127.11 130.74 23.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.096 -0.502 . . . . 15.0 109.97 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.14 126.04 19.16 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 122.857 2.372 . . . . 15.0 113.001 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.06 161.61 14.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.095 -0.502 . . . . 15.0 110.017 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 59.7 m -66.13 158.43 28.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.613 -0.267 . . . . 15.0 110.582 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.11 86.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.448 -0.342 . . . . 15.0 111.24 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.595 -0.717 . . . . 15.0 110.642 179.659 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 111.744 -0.543 . . . . 15.0 111.744 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 22.4 m -85.44 -176.25 6.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.609 0.242 . . . . 15.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 3.3 p -67.26 102.46 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-O 121.743 0.783 . . . . 15.0 111.274 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -121.19 23.64 10.43 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.503 -0.772 . . . . 15.0 109.814 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -59.25 -55.8 30.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.375 -0.83 . . . . 15.0 110.446 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' B' ' 106' ' ' LEU . 2.1 mm? -100.76 64.7 1.1 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.801 -0.636 . . . . 15.0 109.355 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -37.91 89.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.461 -0.79 . . . . 15.0 111.714 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.69 -39.12 93.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.108 0.48 . . . . 15.0 110.765 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.62 -36.74 84.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.724 -0.671 . . . . 15.0 110.606 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.42 -42.02 59.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.752 -0.658 . . . . 15.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.56 -51.03 71.6 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.017 -0.538 . . . . 15.0 111.059 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 86.4 mt -55.09 -49.15 72.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 15.0 111.363 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -68.53 -34.59 76.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.148 -0.478 . . . . 15.0 111.816 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -64.61 -49.84 69.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.692 0.282 . . . . 15.0 110.273 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 21.1 tp -62.48 -44.47 96.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 15.0 110.502 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -60.44 -46.29 90.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.776 -0.647 . . . . 15.0 110.707 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -63.34 -43.58 97.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.438 -0.801 . . . . 15.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -56.48 -48.15 77.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.229 -0.441 . . . . 15.0 111.345 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.58 -36.48 82.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.028 -0.533 . . . . 15.0 111.346 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.65 -30.68 63.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.226 -0.443 . . . . 15.0 111.98 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -54.26 -20.34 6.88 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.801 0.667 . . . . 15.0 112.801 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -69.69 -42.19 74.42 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.173 -0.211 . . . . 15.0 111.28 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . 0.408 ' C ' ' H ' ' B' ' 125' ' ' LEU . . . -156.79 -43.54 0.07 Allowed 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.055 0.391 . . . . 15.0 112.055 -178.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -72.97 20.46 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.374 0.509 . . . . 15.0 112.374 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.408 ' H ' ' C ' ' B' ' 123' ' ' ALA . 30.5 tp -65.65 -31.96 73.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.851 0.358 . . . . 15.0 110.803 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -68.56 -44.34 74.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.238 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 55.2 ttp85 -71.4 -34.78 70.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.265 -0.425 . . . . 15.0 110.292 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.38 -40.32 82.03 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.45 0.643 . . . . 15.0 109.434 178.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.487 ' HB3' ' OD2' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -60.49 -48.6 81.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.192 -0.913 . . . . 15.0 110.456 179.236 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m -67.74 -34.04 76.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.791 -0.64 . . . . 15.0 111.224 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.63 -44.66 81.41 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.791 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' B' ' 136' ' ' ASP . 0.0 OUTLIER -57.54 -37.67 73.46 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 110.007 -0.368 . . . . 15.0 110.007 179.38 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' HIS . . . . . 0.404 ' O ' ' HE3' ' B' ' 137' ' ' LYS . 0.6 OUTLIER -55.42 -45.97 76.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.571 -0.74 . . . . 15.0 110.891 179.494 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -85.13 -27.07 26.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.043 -0.526 . . . . 15.0 111.977 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -77.14 -43.79 32.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.519 -0.309 . . . . 15.0 111.756 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' B' ' 132' ' ' ARG . 0.3 OUTLIER -63.8 -40.65 97.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.501 -0.318 . . . . 15.0 111.303 -178.783 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . 0.404 ' HE3' ' O ' ' B' ' 133' ' ' HIS . 8.7 ptpt -64.79 -24.26 67.5 Favored 'General case' 0 C--O 1.227 -0.124 0 CA-C-O 120.949 0.404 . . . . 15.0 110.233 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -83.56 -35.18 24.94 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.121 -0.696 . . . . 15.0 109.121 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -66.66 -28.94 68.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.097 -0.956 . . . . 15.0 110.989 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -52.11 -43.57 64.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.144 -0.48 . . . . 15.0 111.819 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.07 -43.76 33.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 15.0 111.204 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 52.2 ttp85 -62.91 -46.81 86.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.428 -0.351 . . . . 15.0 111.498 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -62.77 -31.19 72.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.584 -0.28 . . . . 15.0 111.681 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -56.74 -43.9 81.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.415 -0.357 . . . . 15.0 111.641 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -89.72 -34.21 16.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.779 0.323 . . . . 15.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.06 -52.09 66.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.01 -0.541 . . . . 15.0 111.581 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -69.92 -24.54 63.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.3 -0.409 . . . . 15.0 111.183 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -73.29 -40.31 64.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.149 -0.478 . . . . 15.0 110.624 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 20.8 tp -78.34 -56.18 4.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.355 -0.384 . . . . 15.0 110.771 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -74.58 116.35 15.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.13 -0.322 . . . . 15.0 110.13 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -96.82 -12.01 24.15 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.033 -0.267 . . . . 15.0 111.086 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.706 -0.664 . . . . 15.0 110.026 179.553 . . . . . . . . 0 0 . 1 stop_ save_